SCHEMBL17338922

SCHEMBL17338922

O=C(O)c1ccccc1CC(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.44
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL8696231 0.85 FOLH1 (0.53) FOLH1ALDH1A1TSHRGAASRC
SCHEMBL27987619 0.77 FOLH1 (0.45) FOLH1MEN1KMT2AALDH1A1
SCHEMBL1919736 0.76 PTGER4 (0.42) FOLH1KMT2A
SCHEMBL5021484 0.76 CPN1 (0.46) CPN1CPB2MEN1KMT2AALDH1A1
SCHEMBL288665 0.74 AKR1C3 (0.49) CPN1CPB2ALDH1A1GAA
SCHEMBL27996917 0.74 CPN1 (0.49) CPN1CPB2MEN1KMT2AALDH1A1
SCHEMBL20522793 0.74 FOLH1 (0.51) FOLH1MEN1KMT2AALDH1A1TSHR
SCHEMBL21808436 0.74 AKR1C3 (0.49) CPN1CPB2ALDH1A1GAA
SCHEMBL11369027 0.74 FOLH1 (0.48) FOLH1MEN1KMT2AALDH1A1TSHR
SCHEMBL10409409 0.73 FOLH1 (0.57) FOLH1MEN1KMT2AALDH1A1TSHR

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
EP-3154956-A1 GLUCAGON ANTAGONISTS Ligand Pharmaceuticals, Inc. (US) 2017-04-19 EP disclosed
WO-2015191900-A1 GLUCAGON ANTAGONISTS LIGAND PHARMACEUTICALS, INC. (US) 2015-12-17 WO disclosed