SCHEMBL5741390

SCHEMBL5741390

OCCOc1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.67
EPHX2 P34913 1/20 0.67
ALDH1A1 P00352 2/20 0.64
RECQL P46063 1/20 0.64
FFAR1 O14842 3/20 0.63
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
S1PR1 P21453 4/20 0.54

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
SCHEMBL8408714 0.92 ALDH1A1 (0.69) LTA4HEPHX2ALDH1A1RECQLFFAR1
SCHEMBL34023 0.92 ALDH1A1 (0.60) LTA4HEPHX2ALDH1A1RECQLFFAR1
SCHEMBL4520940 0.89 ALDH1A1 (0.66) LTA4HEPHX2ALDH1A1RECQLFFAR1
SCHEMBL24041796 0.89 FFAR1 (0.68) LTA4HEPHX2ALDH1A1RECQLFFAR1
SCHEMBL14463874 0.89 LTA4H (0.77) LTA4HEPHX2ALDH1A1RECQLFFAR1
SCHEMBL19102211 0.89 ALDH1A1 (0.69) LTA4HEPHX2ALDH1A1RECQLFFAR1
SCHEMBL4165319 0.87 FFAR1 (0.69) LTA4HEPHX2ALDH1A1FFAR1DRD2
SCHEMBL4990243 0.86 LTA4H (0.62) LTA4HEPHX2ALDH1A1RECQLFFAR1
SCHEMBL8500544 0.86 FFAR1 (0.67) LTA4HEPHX2ALDH1A1FFAR1DRD2
SCHEMBL4659369 0.86 LTA4H (0.73) LTA4HEPHX2ALDH1A1FFAR1DRD2

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
US-5573754-A SUNSCREENS RICHARDSON-VICKS INC. (US) 1996-11-12 US claimed
EP-1074244-B1 Topical composition comprising a tocopherol compound DSM IP ASSETS BV (NL) 2006-03-08 EP disclosed
EP-1074244-A2 Topical composition comprising a tocopherol compound F. HOFFMANN-LA ROCHE AG (CH) 2001-02-07 EP disclosed