SCHEMBL27764801

SCHEMBL27764801

CC(C)(C)c1cccc(C(=O)O)c1C(C)(C)C.[AlH3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
CA2 P00918 3/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
NOTUM Q6P988 1/20 0.39
TSHR P16473 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CA1 P00915 2/20 0.38
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL273494 0.98 ALOX15 (0.47) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL29678146 0.98 ALOX15 (0.47) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL27324933 0.96 ALOX15 (0.46) ALOX15CA2ALDH1A1KDM4EHPGD
Ethylene Glycol SCHEMBL28603660 0.91 ALOX15 (0.42) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL8878932 0.87 ALOX15 (0.44) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL161622 0.86 ALOX15 (0.53) ALOX15CA2ALDH1A1KDM4EHPGD
Propylene Glycol SCHEMBL28918055 0.85 ALOX15 (0.38) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL29263958 0.84 CA2 (0.46) ALOX15CA2ALDH1A1TSHRGABRA1
SCHEMBL28064460 0.84 ALOX15 (0.52) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL1434698 0.82 CA2 (0.45) ALOX15CA2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105939776-B Seperation film, sheet material channel member and separating film element 东丽株式会社 2018-02-02 CN disclosed
CN-105939776-A Separation membrane, sheet channel material, and separation membrane element 东丽株式会社 2016-09-14 CN disclosed
CN-101443409-B Polyester resin composition ADEKA CORP 2012-01-11 CN disclosed
CN-101443409-A Polyester resin composition ADEKA CORP (JP) 2009-05-27 CN disclosed