SCHEMBL7561099

SCHEMBL7561099

CC(C)(C)CCc1ccc(Oc2ccc(CCC(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
PPARG P37231 2/20 0.41
ST14 Q9Y5Y6 1/20 0.40
LTA4H P09960 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 4/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ELANE P08246 1/20 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
SCHEMBL2600047 0.92 FFAR1 (0.53) FFAR1PPARGLTA4HS1PR1PPARA
SCHEMBL1754089 0.84 TAAR1 (0.57) LTA4HTAAR1
SCHEMBL15355204 0.83 PPARA (0.43) PPARGTAAR1PPARA
SCHEMBL12532591 0.81 NQO1 (0.56) LTA4HS1PR1S1PR3
SCHEMBL9969446 0.79 SLC6A4 (0.48) LTA4HPPARAALDH1A1
SCHEMBL24358701 0.78 S1PR1 (0.56) S1PR1S1PR3ALDH1A1MAPK1
SCHEMBL28166884 0.78 PPARA (0.33) TAAR1PPARA
SCHEMBL11062160 0.77 FFAR1 (0.41) FFAR1ST14LTA4HS1PR1S1PR3
SCHEMBL25037518 0.77 HRH3 (0.32)
SCHEMBL11960785 0.77 LMNA (0.50) PPARANPC1ALDH1A1MAPTRAB9A

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-2002068434-A1 NOVEL DIPHOSPHINES AND A METHOD FOR THEIR PRODUCTION CELANESE CHEMICALS EUROPE GMBH (DE) 2002-09-06 WO disclosed