SCHEMBL3777659

SCHEMBL3777659

CCCCCCCCOC(=O)c1cc(C)cc(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.64
AKR1C4 P17516 1/20 0.61
AKR1C3 P42330 1/20 0.61
AKR1C2 P52895 1/20 0.61
AKR1C1 Q04828 1/20 0.61
CNR2 P34972 4/20 0.60
CNR1 P21554 3/20 0.60
PLA2G2A P14555 1/20 0.56
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.50

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
SCHEMBL27673441 1.00 ESR1 (0.64) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6940194 0.94 ESR1 (0.71) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22289842 0.94 ESR1 (0.69) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14376406 0.94 ESR1 (0.71) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL12110051 0.94 ESR1 (0.71) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28588245 0.94 ESR1 (0.71) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29263833 0.94 ESR1 (0.69) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13308500 0.91 ESR1 (0.71) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5710040 0.91 ESR1 (0.71) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14099429 0.88 ESR1 (0.64) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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
US-20140228135-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT KYODO YUSHI CO., LTD. (JP) 2014-08-14 US disclosed
US-20100323934-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT NTN CORPORATION (JP) 2010-12-23 US disclosed