SCHEMBL11534689

SCHEMBL11534689

Oc1ccc2ccccc2c1C(c1ccc(-c2ccccc2)cc1)c1c(O)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NQO1 P15559 1/20 0.48
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.44
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
MDM2 Q00987 1/20 0.41
USP2 O75604 1/20 0.41
PAK1 Q13153 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL30738449 0.90 MEN1 (0.56) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL9423648 0.90 MEN1 (0.56) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL19806925 0.90 MEN1 (0.46) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL9423470 0.86 AHR (0.52) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL15998780 0.86 CDK4 (0.49) AHRMEN1KMT2AKDM4ENQO1
SCHEMBL15998724 0.84 ESR2 (0.52) NQO1ESR2CYP1A2CYP2C9CYP2C19
SCHEMBL11536163 0.83 AHR (0.53) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL17787304 0.83 MEN1 (0.58) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL11539885 0.83 AHR (0.53) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL11536604 0.83 AHR (0.50) AHRMEN1KMT2AKDM4EALDH1A1

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
US-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 US disclosed