SCHEMBL4660171

SCHEMBL4660171

CCC(C#N)(C(=O)O)C(c1ccc(OC)cc1OC)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MTNR1A P48039 8/20 0.40
MTNR1B P49286 7/20 0.40
HTR2C P28335 4/20 0.40
HPGD P15428 1/20 0.40
GPR139 Q6DWJ6 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4662804 0.93 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL4661587 0.91 ESR1 (0.45) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL4661453 0.86 MEN1 (0.45) MEN1KMT2AKDM4EMTNR1AMTNR1B
SCHEMBL4661443 0.86 ESR1 (0.50) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL5683225 0.86 ESR1 (0.50) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL4660080 0.84 ESR1 (0.42) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL4662613 0.83 ESR1 (0.45) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL4659952 0.83 ESR1 (0.45) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL4659954 0.83 ESR1 (0.45) MEN1KMT2AALDH1A1KDM4EESR1
SCHEMBL6433797 0.83 ESR1 (0.45) MEN1KMT2AALDH1A1KDM4EESR1

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
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP claimed