SCHEMBL9329271

SCHEMBL9329271

COc1ccc(COC(=O)c2ccc(C(C)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 5/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
ESR2 Q92731 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
MMP9 P14780 2/20 0.48
MMP1 P03956 1/20 0.48

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
SCHEMBL16689961 0.88 KMT2A (0.67) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL11683371 0.86 ATM (0.53) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL9330530 0.84 NPC1 (0.50) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL9329147 0.84 KMT2A (0.67) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL1129093 0.83 MEN1 (0.77) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL16704815 0.82 MAPT (0.60) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL27881866 0.82 MAPT (0.60) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL10636593 0.82 NPC1 (0.71) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL14852921 0.81 LOXL2 (0.60) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL14129580 0.81 NPC1 (0.58) NPC1SMN1; SMN2RAB9AMAPTMEN1

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
US-5332675-A Liquid crystals SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-07-26 US disclosed
EP-0289307-B1 OPTICALLY ACTIVE AROMATIC CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
US-5019298-A Optically active aromatic carboxylic acid derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-28 US disclosed
EP-0289307-A2 Optically active aromatic carboxylic acid derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-02 EP disclosed