SCHEMBL7475153

SCHEMBL7475153

CS(=O)(=O)CCN1Cc2ccccc2C[C@H]1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
MMP8 P22894 5/20 0.36
MMP3 P08254 3/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BCL2 P10415 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL8339942 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1MMP8MMP3
SCHEMBL14879167 0.81 HTR1A (0.40) ALDH1A1CYP1A2CYP2C19
SCHEMBL19055956 0.78 OPRM1 (0.37) OPRM1OPRD1OPRK1
SCHEMBL6369819 0.77 BCL2 (0.38) OPRM1OPRD1OPRK1BCL2
SCHEMBL6651633 0.74 OPRM1 (0.48) OPRM1ALDH1A1CYP1A2CYP2C19BCL2
SCHEMBL6651630 0.74 OPRM1 (0.48) OPRM1ALDH1A1CYP1A2CYP2C19BCL2
SCHEMBL7475157 0.72 ACE (0.37) OPRM1OPRD1OPRK1MMP8MMP3
SCHEMBL20683463 0.72 HDAC8 (0.43) OPRM1OPRD1OPRK1
SCHEMBL16879019 0.72 ADORA2A (0.43) OPRM1OPRD1OPRK1
SCHEMBL16889003 0.72 ADORA2A (0.43) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed