SCHEMBL15322344

SCHEMBL15322344

Cc1cc(C(=O)O)cc(Cl)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.48
TSHR P16473 1/20 0.42
TPMT P51580 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SRD5A2 P31213 1/20 0.38
PLAU P00749 1/20 0.38
HCAR1 Q9BXC0 2/20 0.37
PKM P14618 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
CYP19A1 P11511 1/20 0.36
RAF1 P04049 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL3069036 0.86 TTR (0.58) TTRTSHRTPMTMAPTKDM4E
SCHEMBL1174688 0.86 TPMT (0.50) TTRTSHRTPMTCYP3A4MAPT
SCHEMBL15358131 0.78 CYP3A4 (0.49) CYP3A4MAPTKDM4EHTTPKM
SCHEMBL15323116 0.78 TTR (0.48) TTRTSHRTPMTMAPTKDM4E
SCHEMBL15321929 0.78 MAPT (0.42) TTRTSHRTPMTCYP3A4MAPT
SCHEMBL867170 0.77 TTR (0.52) TTRTSHRTPMTMAPTKDM4E
SCHEMBL10300670 0.76 TTR (0.56) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL15569339 0.75 KDM4E (0.44) TSHRTPMTCYP3A4MAPTKDM4E
SCHEMBL26730188 0.75 CA12 (0.55) TTRTSHRTPMTCYP3A4MAPT
SCHEMBL983707 0.75 TTR (0.72) TTRTSHRTPMTMAPTKDM4E

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-2013149996-A9 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2014-02-20 WO disclosed
WO-2013149996-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed