SCHEMBL9604263

SCHEMBL9604263

C=CCC1(C(=O)O)Cc2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
TSHR P16473 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7420613 0.81 PPARA (0.44) MEN1KMT2APPARGPPARATSHR
SCHEMBL444321 0.81 CYP2D6 (0.36) MEN1KMT2APOLBTRPM8PPARG
SCHEMBL3380544 0.81 PPARA (0.44) MEN1KMT2APPARGPPARATSHR
SCHEMBL7553505 0.81 ALOX15 (0.36) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL7553510 0.81 ALOX15 (0.36) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL7555883 0.81 ALOX15 (0.36) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL7626521 0.74 P2RX1 (0.38) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL7634978 0.74 CYP2C19 (0.39) ALDH1A1CYP2C19CYP1A2NFKB1SMN1; SMN2
SCHEMBL1463776 0.73
SCHEMBL20955895 0.72 HTR2A (0.33) MEN1KMT2AALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266711-A Process for the preparation of 3-benzoyl benzofuran derivatives SANOFI (FR) 1993-11-30 US disclosed