SCHEMBL9780906

SCHEMBL9780906

CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(N)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALOX12 P18054 4/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
EPHX1 P07099 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
TYR P14679 1/20 0.40
TSHR P16473 1/20 0.40
TAS2R38 P59533 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
BCL2 P10415 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28827410 0.85 ALDH1A1 (0.48) ALDH1A1ALOX12HPGDHTTMAPT
Thiourea SCHEMBL18454051 0.83 ALDH1A1 (0.44) ALDH1A1ALOX12HPGDHTTCYP3A4
Urea SCHEMBL4339122 0.81 ALDH1A1 (0.42) ALDH1A1ALOX12HPGDHTTCYP3A4
SCHEMBL8408960 0.81 ALDH1A1 (0.47) ALDH1A1ALOX12HPGDHTTCYP3A4
SCHEMBL27926 0.81 ALDH1A1 (0.47) ALDH1A1ALOX12HPGDHTTCYP3A4
Water SCHEMBL2581834 0.80 ALDH1A1 (0.46) ALDH1A1ALOX12HPGDHTTCYP3A4
SCHEMBL18454125 0.78 ALDH1A1 (0.41) ALDH1A1ALOX12HPGDHTTMAPT
SCHEMBL28827395 0.78 ALDH1A1 (0.42) ALDH1A1ALOX12HPGDHTTCYP2D6
SCHEMBL15693408 0.77 ALDH1A1 (0.46) ALDH1A1ALOX12HPGDHTTCYP2C9
SCHEMBL681523 0.77 MAPT (0.64) ALDH1A1ALOX12HPGDHTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546288-A High-light-transmittance organic glass and preparation method and application thereof 中国石油化工股份有限公司 2024-08-27 CN claimed
CN-117960040-A Butyl ether urea raw medicine preparation equipment and preparation process thereof 江苏长青农化股份有限公司 2024-05-03 CN claimed
CN-113651705-A 4-phenoxy-2, 6-diisopropylaniline intermediate and preparation method and application thereof 襄阳金达成精细化工有限公司 2021-11-16 CN claimed
CN-101307016-B Method for synthesizing 2,6-diisopropyl-4-phenoxy phenylthiourea JIANGSU CHANGQING AGROCHEMICAL CO LTD 2011-05-11 CN claimed
CN-101307016-A Synthesis method of 2, 6-diisopropyl-4-phenoxyphenylthiourea JIANGSU CHANGQING AGROCHEMICAL (CN) 2008-11-19 CN claimed
CN-119954701-A Synthesis method of diafenthiuron 青岛润农化工有限公司 2025-05-09 CN disclosed
CN-118791413-B Synthesis method of diafenthiuron 青岛润农化工有限公司 2025-04-18 CN disclosed
CN-118546288-A High-light-transmittance organic glass and preparation method and application thereof 中国石油化工股份有限公司 2024-08-27 CN disclosed
CN-117960040-A Butyl ether urea raw medicine preparation equipment and preparation process thereof 江苏长青农化股份有限公司 2024-05-03 CN disclosed
CN-114702422-A Preparation method of diafenthiuron technical 江苏长青农化股份有限公司 2022-07-05 CN disclosed
CN-114702422-A Preparation method of diafenthiuron technical 江苏长青农化股份有限公司 2022-07-05 CN disclosed
CN-113651705-A 4-phenoxy-2, 6-diisopropylaniline intermediate and preparation method and application thereof 襄阳金达成精细化工有限公司 2021-11-16 CN disclosed
CN-103724213-B A kind of synthetic method of 2,6-di-isopropyl-4-phenoxybenzamine XINFA PHARMACEUTICAL CO., LTD. (CN) 2015-08-12 CN disclosed
CN-103724213-A Synthetic method for 2,6-diisopropyl-4-phenoxy aniline XINFA PHARMACEUTICAL CO LTD 2014-04-16 CN disclosed
CN-101307016-B Method for synthesizing 2,6-diisopropyl-4-phenoxy phenylthiourea JIANGSU CHANGQING AGROCHEMICAL CO LTD 2011-05-11 CN disclosed
CN-101307016-B Method for synthesizing 2,6-diisopropyl-4-phenoxy phenylthiourea JIANGSU CHANGQING AGROCHEMICAL CO LTD 2011-05-11 CN disclosed
CN-101307016-A Synthesis method of 2, 6-diisopropyl-4-phenoxyphenylthiourea JIANGSU CHANGQING AGROCHEMICAL (CN) 2008-11-19 CN disclosed
CN-101307016-A Synthesis method of 2, 6-diisopropyl-4-phenoxyphenylthiourea JIANGSU CHANGQING AGROCHEMICAL (CN) 2008-11-19 CN disclosed
CN-101307016-A Synthesis method of 2, 6-diisopropyl-4-phenoxyphenylthiourea JIANGSU CHANGQING AGROCHEMICAL (CN) 2008-11-19 CN disclosed
US-4997967-A Process for the preparation of isothiocyanates CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed