SCHEMBL11297291

SCHEMBL11297291

N#Cc1ccc(CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.55
AR P10275 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
GSK3B P49841 2/20 0.52
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
HTT P42858 1/20 0.50
CTBP2 P56545 1/20 0.49
ALDH1A1 P00352 1/20 0.48
RARB P10826 1/20 0.47
RAB9A P51151 1/20 0.46
FFAR1 O14842 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 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
SCHEMBL11770480 0.93 RARB (0.56) TAS2R14ARCA1CA2GSK3B
SCHEMBL8578235 0.93 RARB (0.53) TAS2R14ARCA1CA2GSK3B
SCHEMBL10817566 0.91 RARB (0.57) TAS2R14ARCA1CA2GSK3B
SCHEMBL216706 0.88 CA2 (0.64) TAS2R14ARCA1CA2GSK3B
SCHEMBL28170053 0.87 MRGPRX4 (0.49) TAS2R14ARCA1CA2GSK3B
Ammonia Solution, Strong SCHEMBL22265084 0.86 CA2 (0.61) TAS2R14ARCA1CA2GSK3B
SCHEMBL27765473 0.86 CA2 (0.61) TAS2R14ARCA1CA2GSK3B
SCHEMBL28435413 0.86 CA2 (0.61) TAS2R14ARCA1CA2GSK3B
SCHEMBL11453092 0.86 CA2 (0.61) TAS2R14ARCA1CA2GSK3B
SCHEMBL15347438 0.86 CA2 (0.61) TAS2R14ARCA1CA2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57085881-A None JP disclosed
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
JP-S5785881-A LIQUID CRYSTAL COMPOSITION SEIKO EPSON CORP 1982-05-28 JP disclosed