SCHEMBL9735276

SCHEMBL9735276

COCC1(C)Oc2ccc(NC=O)cc2C(n2ccccc2=O)C1O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.32
ABCB1 P08183 1/20 0.32
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KCNJ8 Q15842 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
OPRD1 P41143 3/20 0.32
TRPV1 Q8NER1 4/20 0.32
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL9735453 0.87 TRPV1 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL9735412 0.83 ABCC9 (0.32) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9736968 0.83 IDO1 (0.38) ABCC9
SCHEMBL9734831 0.83 ALOX5 (0.37) ABCC9OPRD1
SCHEMBL8536595 0.83 ABCC9 (0.49) ABCC9ABCB1ABCC8KCNJ11KCNJ8
SCHEMBL9735244 0.83 LMNA (0.36) ABCC9CYP2C19LMNA
SCHEMBL9738250 0.81 OPRM1 (0.36) ABCC9OPRD1TRPV1
SCHEMBL9736167 0.81 ABCC9 (0.37) ABCC9LMNA
SCHEMBL9732909 0.77 OPRD1 (0.35) OPRD1
SCHEMBL9735348 0.75 ABCC9 (0.42) ABCC9ABCB1ABCC8KCNJ11KCNJ8

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed