SCHEMBL16137772

SCHEMBL16137772

C=C(/C=C(/c1cccc(OCc2ccccc2)n1)c1nnc(C)o1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ NTSR1 P30989 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GABRA5 P31644 1/20 0.31

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
SCHEMBL18725149 0.88 MAOB (0.37) BRD4MAOBALDH1A1PTGER1MEN1
SCHEMBL18725150 0.88 MAOB (0.37) BRD4MAOBALDH1A1PTGER1MEN1
SCHEMBL16115402 0.78 BRD4 (0.43) BRD4TRPV3ALDH1A1PTGER1MAPT
SCHEMBL16137781 0.76 BRD4 (0.38) BRD4MAOBALDH1A1MEN1HSP90AA1
SCHEMBL23834794 0.68 ALDH1A1 (0.47) TRPV3MAOBALDH1A1PTGER1MEN1
SCHEMBL29921094 0.68 ALDH1A1 (0.47) TRPV3MAOBALDH1A1PTGER1MEN1
SCHEMBL16134440 0.67 MMP13 (0.37) TRPV3ALDH1A1PTGER1MEN1HSP90AA1
SCHEMBL16108509 0.65 LMNA (0.50) TRPV3ALDH1A1PTGER1MAPTPKM
SCHEMBL16137688 0.65 KMT2A (0.40) BRD4MAOBALDH1A1PTGER1MEN1
SCHEMBL16114824 0.65 MRGPRX4 (0.40) BRD4MAOBALDH1A1MEN1HSP90AA1

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
WO-2014154727-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 — — WO disclosed
WO-2014154726-A1 BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 — — WO disclosed
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