SCHEMBL27639655

SCHEMBL27639655

O=C(O)C(F)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
DPP4 P27487 7/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL28185906 1.00 EPHX1 (0.50) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL27932085 0.98 EPHX1 (0.48) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL26870655 0.92
SCHEMBL15778131 0.87
SCHEMBL28976541 0.75
SCHEMBL431289 0.74 EPHX1 (0.48) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL10660120 0.74 EPHX1 (0.61) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL17316191 0.74 EPHX1 (0.61) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL66996 0.74 EPHX1 (0.61) EPHX1DPP4ALDH1A1NPC1RAB9A
SCHEMBL14456397 0.74 EPHX1 (0.48) EPHX1DPP4ALDH1A1NPC1RAB9A

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
CN-100376292-C Deodorant composition TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 CN disclosed
CN-1732019-A Deodorant composition TAKASAGO PERFUMERY CO LTD (JP) 2006-02-08 CN disclosed