SCHEMBL8505960

SCHEMBL8505960

CCN(CC)C(O)Cc1cccc2c(C)c(C)oc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
STING1 Q86WV6 1/20 0.36
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2D6 P10635 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
SLC11A2 P49281 1/20 0.31
ALOX5 P09917 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
SCHEMBL8406550 0.86 GLA (0.34) GLASTING1MCL1CYP2D6
SCHEMBL7824589 0.76 PDCD1 (0.43) GLASTING1MCL1KDM4ESLC11A2
SCHEMBL8038419 0.74 HTR1A (0.43) KDM4ECYP2D6CDK1CCNB1
SCHEMBL8038415 0.73 ABL1 (0.31) MCL1
Hydrochloric Acid SCHEMBL8038029 0.72
Hydrochloric Acid SCHEMBL8086156 0.72 HTR1A (0.42) KDM4ECYP2D6CDK1CCNB1
Hydrochloric Acid SCHEMBL8038003 0.72 ABL1 (0.30) MCL1
SCHEMBL8081899 0.72 GLA (0.38) GLASTING1MCL1KDM4ESLC11A2
SCHEMBL8405997 0.71
SCHEMBL8406965 0.71 EED (0.37) CYP2D6

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
EP-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 WO disclosed