SCHEMBL8587309

SCHEMBL8587309

COc1ccc(CCC2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.49
F2RL1 P55085 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CTSK P43235 1/20 0.44
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
LDHA P00338 1/20 0.44
MMP1 P03956 1/20 0.44
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL9054136 0.89 CYP1A2 (0.46) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8587184 0.87 KMT2A (0.52) KMT2AMEN1POLBTSHRF2RL1
SCHEMBL6627416 0.85 ITGB1 (0.47) KMT2APOLBTSHRALDH1A1CTSK
SCHEMBL13004983 0.85 CHRM5 (0.56) KMT2AMEN1POLBALDH1A1MMP1
SCHEMBL6626906 0.83 ALDH1A1 (0.48) KMT2APOLBALDH1A1SMN1; SMN2LDHA
SCHEMBL17451241 0.81 CYP2C19 (0.46) KMT2AMEN1POLBSMN1; SMN2CYP3A4
SCHEMBL8571445 0.80 ALDH1A1 (0.43) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL29966158 0.79 MTNR1A (0.48) KMT2AMEN1CYP1A2RAB9A
SCHEMBL29092222 0.79 MTNR1A (0.48) KMT2AMEN1CYP1A2RAB9A
SCHEMBL639269 0.78 TSHR (0.57) TSHRF2RL1SMN1; SMN2

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
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed