SCHEMBL9735244

SCHEMBL9735244

COCC1(C)Oc2ccccc2C(n2ccccc2=O)C1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ABCC9 O60706 1/20 0.32
TP53 P04637 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL9735412 0.87 ABCC9 (0.32) LMNACYP2C19ABCC9
SCHEMBL9736968 0.87 IDO1 (0.38) ALDH1A1NPSR1TSHRSMN1; SMN2POLB
SCHEMBL9736167 0.84 ABCC9 (0.37) LMNAL3MBTL1ALDH1A1SMN1; SMN2ABCC9
SCHEMBL8536595 0.84 ABCC9 (0.49) LMNACYP2C19ABCC9
SCHEMBL9738250 0.84 OPRM1 (0.36) TSHRSMN1; SMN2ABCC9
SCHEMBL9734831 0.84 ALOX5 (0.37) ALDH1A1TSHRSMN1; SMN2RAB9AKDM4E
SCHEMBL9735276 0.83 ABCC9 (0.32) LMNACYP2C19ABCC9
SCHEMBL9735453 0.83 TRPV1 (0.36) LMNAALDH1A1NPSR1CYP3A4CYP2C19
SCHEMBL9796789 0.82 ABCC9 (0.45) LMNAL3MBTL1KCNE1KCNQ1ALDH1A1
SCHEMBL9796795 0.82 ABCC9 (0.45) LMNAL3MBTL1KCNE1KCNQ1ALDH1A1

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