SCHEMBL8437183

SCHEMBL8437183

CC(C)N(C(=O)Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.64
RARB P10826 6/20 0.49
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
GRIA4 P48058 1/20 0.43

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
SCHEMBL8084456 0.79 MMP1 (0.42) SRD5A2ALDH1A1MEN1MAPTKMT2A
SCHEMBL12157433 0.79 KMT2A (0.53) MEN1KMT2A
SCHEMBL8070858 0.78 SRD5A2 (1.00) SRD5A2RARBMEN1KMT2A
SCHEMBL8433248 0.78 SRD5A2 (0.59) SRD5A2ALDH1A1MAPTRXRARXRB
SCHEMBL8719485 0.76 ADRB1 (0.58) SRD5A2RARBALDH1A1MEN1RARA
SCHEMBL15651246 0.76 OPRK1 (0.43) ALDH1A1
SCHEMBL14958584 0.76 TDP1 (0.57) ALDH1A1KMT2A
SCHEMBL8084537 0.76 KMT2A (0.51) ALDH1A1MEN1KMT2A
SCHEMBL3440360 0.75 ALDH1A1 (0.55) SRD5A2RARBALDH1A1MEN1MAPT
SCHEMBL9369118 0.74 ADRB3 (0.56) RARBALDH1A1MEN1RARAMAPT

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-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed