SCHEMBL9017544

SCHEMBL9017544

CCCCCCCCNC(C)=C(CC)C(=O)O.CCCCCCCCNC(C)=CC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
EPHX2 P34913 6/20 0.40
CASP2 P42575 1/20 0.39
THRB P10828 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
FAAH O00519 1/20 0.38
NAAA Q02083 2/20 0.37
PLA2G2A P14555 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
SCHEMBL9017540 1.00 EPHX1 (0.42) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL1275796 0.88 EPHX1 (0.53) EPHX1ZDHHC20ZDHHC2CASP2THRB
SCHEMBL1275792 0.88 EPHX1 (0.53) EPHX1ZDHHC20ZDHHC2CASP2THRB
SCHEMBL3128565 0.84 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL14148319 0.84 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL3128562 0.84 EPHX1 (0.57) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL19066279 0.83 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL19066280 0.83 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2EPHX2CASP2
SCHEMBL15567984 0.81 EPHX1 (0.45) EPHX1THRBFNTAFNTBPGGT1B
SCHEMBL2128891 0.81 EPHX1 (0.45) EPHX1THRBFNTAFNTBPGGT1B

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-0746305-A1 SUNSCREEN COMPOSITIONS Ciba SC Holding AG (CH) 1996-12-11 EP claimed
WO-1995022959-A2 SUNSCREEN COMPOSITIONS CIBA-GEIGY AG (CH) 1995-08-31 WO claimed