SCHEMBL9827273

SCHEMBL9827273

C=CCCCc1ccc(OC)cc1.COc1ccc(CCCC2CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CALM1 P0DP23 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
IGF1R P08069 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
PKM P14618 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL8803380 0.89 CALM1 (0.51) ALOX15CALM1MEN1KMT2ADRD2
SCHEMBL10697670 0.84 CALM1 (0.50) ALOX15CALM1MEN1KMT2ADRD2
SCHEMBL8062950 0.84 ALOX15 (0.60) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8805151 0.79 DRD2 (0.53) CALM1DRD2DRD4DRD3TAAR1
SCHEMBL6056697 0.79 ALOX15 (0.58) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8077879 0.78 ALOX15 (0.56) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8076317 0.78 ALOX15 (0.56) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8076016 0.78 ALOX15 (0.56) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL8076536 0.78 ALOX15 (0.56) ALOX15ALDH1A1TP53CYP3A4TSHR
SCHEMBL10686363 0.75 ALDH1A1 (0.50) ALDH1A1CALM1DRD2DRD4DRD3

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 2 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