SCHEMBL9826799

SCHEMBL9826799

C=CCCCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.45
THRB P10828 10/20 0.44
THRA P10827 8/20 0.44
CYP4F2 P78329 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G1B P04054 3/20 0.38
ATG4B Q9Y4P1 3/20 0.38

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
SCHEMBL9085264 0.87 CYP4A11 (0.46) CYP4A11THRBTHRACYP4F2MEN1
SCHEMBL7398278 0.83 CYP4A11 (0.66) CYP4A11THRBTHRACYP4F2MEN1
SCHEMBL9089230 0.82 CYP4A11 (0.46) CYP4A11THRBTHRACYP4F2CA12
SCHEMBL9089235 0.82 CYP4A11 (0.46) CYP4A11THRBTHRACYP4F2CA12
SCHEMBL7855043 0.81 CYP4A11 (0.68) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL23710398 0.80 TSHR (0.46) CYP4A11THRBTHRACYP4F2MEN1
SCHEMBL8562574 0.80 CYP4A11 (0.49) CYP4A11THRBTHRACYP4F2CA12
SCHEMBL8570437 0.80 CYP4A11 (0.49) CYP4A11THRBTHRACYP4F2CA12
SCHEMBL8293510 0.80 RARB (0.55) CYP4A11THRBTHRACYP4F2MEN1
SCHEMBL1560634 0.80 CYP4A11 (0.69) CYP4A11THRBTHRACYP4F2CA12

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-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed