SCHEMBL9738413

SCHEMBL9738413

O=Cc1oc2ccccc2c1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
ABCB1 P08183 3/20 0.48
NQO1 P15559 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PGAM1 P18669 1/20 0.40
MAOA P21397 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL1254752 0.82 KDM4E (0.41) ABCB1MTNR1AMTNR1BKDM4EHPGD
SCHEMBL4670589 0.79 PTPN1 (0.47) RAB9ACYP3A4SMN1; SMN2HTTLMNA
SCHEMBL718444 0.78 ABCB1 (0.44) ABCB1NQO1KDM4EHPGDHSD17B10
SCHEMBL4670194 0.74 MCL1 (0.68) PPARGABCB1NQO1MTNR1AMTNR1B
SCHEMBL4143926 0.74 ALDH1A1 (0.40) ABCB1NQO1RAB9AKDM4EHPGD
SCHEMBL30956080 0.74 ALDH1A1 (0.37) ABCB1NQO1RAB9AKDM4EHPGD
SCHEMBL4672785 0.72 MCL1 (0.53) PPARGABCB1NQO1MTNR1AMTNR1B
SCHEMBL29502989 0.72 NPC1 (0.44) NQO1MTNR1ARAB9AKDM4EHPGD
SCHEMBL18702818 0.72 NPC1 (0.44) NQO1MTNR1ARAB9AKDM4EHPGD
SCHEMBL16540650 0.71 MAPT (0.57) RAB9AKDM4EHPGDALDH1A1MAPT

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-1992017464-A1 PHARMACOLOGICALLY ACTIVE α-AMINOETHYL-2-BENZOFURANE METHANOLS SUBSTITUTED IN POSITION 3 NOE CHRISTIAN R (AT) 1992-10-15 WO disclosed