SCHEMBL7747385

SCHEMBL7747385

OCCOc1ccccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
CACNA1B Q00975 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LIPE Q05469 1/20 0.43
EDNRA P25101 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
CACNA1H O95180 1/20 0.41
LTA4H P09960 1/20 0.41
SCN9A Q15858 3/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
AR P10275 1/20 0.41
MAPK14 Q16539 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL28638978 0.83 L3MBTL1 (0.52) HPGDCACNA1BL3MBTL1ALDH1A1MAPK14
SCHEMBL10675484 0.82 LMNA (0.54) LTA4HMAPK14LMNA
SCHEMBL7747383 0.82 LTA4H (0.58) CACNA1BALDH1A1RECQLCACNA1HLTA4H
SCHEMBL10960140 0.81 ALDH1A1 (0.63) HPGDL3MBTL1ALDH1A1RECQLLTA4H
SCHEMBL584253 0.79 CYP3A4 (0.58) ALDH1A1RECQLLTA4H
SCHEMBL10348407 0.79 CACNA1B (0.44) HPGDCACNA1BLIPECACNA1HLTA4H
SCHEMBL12676015 0.76 CYP3A4 (0.54) ALDH1A1RECQLLTA4H
SCHEMBL2350644 0.76 AR (0.47) L3MBTL1ALDH1A1RECQLARLMNA
SCHEMBL9589613 0.76 AR (0.51) CACNA1BL3MBTL1ALDH1A1ARMAPK14
SCHEMBL28672016 0.76 NCOA1 (0.62) ALDH1A1SCN9ACYP19A1CYP11B1CYP11B2

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
WO-2001036371-A1 CARBONIC ACID DERIVATIVES AND THEIR USE AS ECTOPARASITICIDAL COMPOSITION NOVARTIS AG (CH) 2001-05-25 WO disclosed