SCHEMBL22020474

SCHEMBL22020474

Cc1cc(C)c(C(=O)C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22109937 0.89 HPGD (0.47) HPGDNPSR1MCOLN3CA1CA2
SCHEMBL4593011 0.82 KDM4E (0.43) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL25425784 0.82 HPGD (0.43) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL4924102 0.80 KDM4E (0.42) HPGDNPSR1MCOLN3TAS1R3TAS1R1
Phosphine SCHEMBL27321039 0.80 KDM4E (0.42) HPGDNPSR1MCOLN3TAS1R3TAS1R1
Phosphine SCHEMBL27356153 0.78 KDM4E (0.41) HPGDNPSR1MCOLN3TAS1R3TAS1R1
SCHEMBL6666412 0.78 HPGD (0.52) HPGDNPSR1MCOLN3CA1CA2
SCHEMBL19465035 0.77 ALDH1A1 (0.59) HPGDNPSR1MCOLN3CA1CA2
SCHEMBL29234976 0.77 HPGD (0.47) HPGDNPSR1MCOLN3TAS1R3TAS1R1
Water SCHEMBL27685550 0.77 KDM4E (0.40) HPGDNPSR1MCOLN3TAS1R3TAS1R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116623460-A Organosilicon coating liquid, preparation method thereof and product 中山市皇冠胶粘制品有限公司 2023-08-22 CN disclosed
WO-2020102004-A2 HYDROLYTICALLY STABLE POLYMERS, METHOD OF SYNTHESIS THEREOF AND USE IN BIO-ELECTRONIC DEVICES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-05-22 WO disclosed