SCHEMBL5848266

SCHEMBL5848266

CC(C)(C)c1c(Cl)cc(Cl)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.55
AKR1C1 Q04828 2/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
ALDH1A1 P00352 2/20 0.47
CASP1 P29466 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.44
NOTUM Q6P988 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SERPINE1 P05121 1/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 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
SCHEMBL12251322 0.85 MAPK1 (0.41) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL12251360 0.81 AKR1C4 (0.39) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL12251273 0.76 ALDH1A1 (0.45) ALDH1A1CASP1TP53TSHRSMN1; SMN2
SCHEMBL8152700 0.74 AKR1C4 (0.68) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL29154613 0.74 AKR1C2 (0.39) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL5671303 0.74 AKR1C4 (0.61) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL25952739 0.73 CYP3A4 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL10222516 0.73 TSHR (0.57) AKR1C2AKR1C1AKR1C3ALDH1A1TSHR
SCHEMBL1614866 0.73 AKR1C4 (0.65) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL9246935 0.72 AKR1C2 (0.58) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060210812-A1 Insulating film and method of forming the same JSR CORPORATION (JP) 2006-09-21 US disclosed