SCHEMBL11270799

SCHEMBL11270799

C=C(C(=O)OCC)c1cccc(C(=O)OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GALR1 P47211 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL11270791 0.93 ALDH1A1 (0.57) CYP4F2CYP4A11ALDH1A1MAPTCA12
SCHEMBL5164888 0.87 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1MAPTCA12
SCHEMBL110276 0.86 CYP4F2 (0.65) CYP4F2CYP4A11ALDH1A1CA12CA1
SCHEMBL21065590 0.85 ALDH1A1 (0.53) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4732769 0.84 ALDH1A1 (0.56) ALDH1A1MAPTTSHRKMT2ANPC1
SCHEMBL29427226 0.84 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1CA12CA1
SCHEMBL28376879 0.84 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1CA12CA1
SCHEMBL4167297 0.84 MAPT (0.51) ALDH1A1MAPTTSHRKMT2ARAB9A
SCHEMBL2489987 0.84 ALDH1A1 (0.51) ALDH1A1MAPTCA12CA1CA2
SCHEMBL20434237 0.83 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1CA12CA1

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-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 US disclosed