SCHEMBL8688769

SCHEMBL8688769

O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
GRIK1 P39086 2/20 0.53
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
MAPK8 P45983 1/20 0.49
HCAR2 Q8TDS4 1/20 0.48
TAS2R14 Q9NYV8 5/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL8691529 0.86 ALDH1A1 (0.60) KMT2AALDH1A1MEN1RAB9AMAPT
SCHEMBL2627998 0.86 KMT2A (0.59) KMT2AALDH1A1MEN1POLBHCAR2
SCHEMBL8689529 0.85 HCAR2 (0.59) TRPA1KMT2AALDH1A1MEN1POLB
SCHEMBL8818748 0.85 ALDH1A1 (0.44) TRPA1TRPM8KMT2AALDH1A1MEN1
SCHEMBL8689115 0.84 POLB (0.50) KMT2AALDH1A1MEN1POLBHCAR2
SCHEMBL5696412 0.83 DHODH (0.57) KMT2AALDH1A1MEN1POLBHCAR2
SCHEMBL8691671 0.82 HDAC1 (0.55) TRPA1TRPM8KMT2AALDH1A1MEN1
SCHEMBL8478866 0.82 HDAC1 (0.55) TRPA1KMT2AALDH1A1MEN1POLB
SCHEMBL8693880 0.82 RAB9A (0.61) KMT2AALDH1A1MEN1POLBHCAR2
SCHEMBL8689405 0.81 POLB (0.55) GRIK1KMT2AALDH1A1MEN1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US claimed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO claimed
US-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed