SCHEMBL3664355

SCHEMBL3664355

O=C(OC(=O)c1ccccc1Cc1cccc(C(=O)O)c1C(=O)O)c1ccccc1Cc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP2C9 P11712 2/20 0.44
HIF1A Q16665 2/20 0.44
FOLH1 Q04609 3/20 0.44
AKR1C3 P42330 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
CLCN2 P51788 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HMGB1 P09429 2/20 0.38
CXCL12 P48061 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CDC25B P30305 2/20 0.38
CDC25A P30304 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL3664358 0.94 AKR1C3 (0.45) TSHRCYP2C9HIF1AFOLH1AKR1C3
SCHEMBL10483666 0.88 TSHR (0.56) TSHRCYP2C9HIF1AFOLH1AKR1C3
SCHEMBL29367715 0.86 FOLH1 (0.50) TSHRCYP2C9HIF1AFOLH1AKR1C3
SCHEMBL23708 0.86 FOLH1 (0.50) TSHRCYP2C9HIF1AFOLH1AKR1C3
SCHEMBL31090800 0.86 FOLH1 (0.50) TSHRCYP2C9HIF1AFOLH1AKR1C3
SCHEMBL5553275 0.84 FOLH1 (0.49) TSHRCYP2C9HIF1AFOLH1AKR1C3
SCHEMBL8837284 0.80 HSPA5 (0.55) TSHRFOLH1AKR1C3ALDH1A1ALOX15
SCHEMBL200212 0.80 TSHR (0.59) TSHRFOLH1AKR1C3ALDH1A1ALOX15
SCHEMBL7201768 0.79 HTT (0.53) TSHRCYP2C9HIF1AFOLH1AKR1C3
SCHEMBL617135 0.79 ALDH1A1 (0.48) TSHRAKR1C3ALDH1A1ALOX15HMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449200-B2 Resin composition for sliding member and rolling bearing NTN CORPORATION (JP) 2013-05-28 US disclosed
US-8182155-B2 Lubricating grease and lubricating grease-enclosed roller bearing NTN CORPORATION (JP) 2012-05-22 US disclosed
US-20100142872-A1 RESIN COMPOSITION FOR SLIDING MEMBER AND ROLLING BEARING NTN CORPORATION (JP) 2010-06-10 US disclosed
EP-2157135-A1 RESIN COMPOSITION FOR SLIDE MEMBER AND ROLLER BEARING NTN Corporation (JP) 2010-02-24 EP disclosed
US-20090232432-A1 Lubricating grease and lubricating grease-enclosed roller bearing NTN CORPORATION (JP) 2009-09-17 US disclosed
EP-1956072-A1 LUBRICATING GREASE AND LUBRICATING-GREASE-FILLED ROLLER BEARING NTN CORPORATION (JP) 2008-08-13 EP disclosed