SCHEMBL9129031

SCHEMBL9129031

C=Cc1ccc(-c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
HSP90AA1 P07900 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 5/20 0.49

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
SCHEMBL1052411 0.95 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL29086874 0.89 CA1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL16351874 0.86 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1965326 0.86 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1537537 0.85 NPC1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL16694040 0.82 ESR1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL4904335 0.81 ALDH1A1 (0.64) CA12CA1CA2CA7CA9
SCHEMBL10246082 0.81 ALDH1A1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL5888698 0.81 ALDH1A1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10967063 0.81 NPC1 (0.56) CA12CA1CA2CA7CA9

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
EP-0444210-B1 ARYLSTYRENE POLYMER AND COPOLYMER AND PROCESS FOR PREPARING THE SAME IDEMITSU KOSAN CO (JP) 1995-05-24 EP disclosed
US-5403908-A Aryl styrene-based copolymer IDEMITSU KOSAN COMPANY, LIMITED (JP) 1995-04-04 US disclosed
EP-0444210-A1 ARYLSTYRENE POLYMER AND COPOLYMER AND PROCESS FOR PREPARING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-09-04 EP disclosed