SCHEMBL9157019

SCHEMBL9157019

CCOC(=O)CCCc1ccccc1Br

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.64
CYP4A11 Q02928 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX5 P09917 1/20 0.50
TNF P01375 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NAMPT P43490 1/20 0.44
GAA P10253 1/20 0.44
TOP2A P11388 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
CYP4F11 Q9HBI6 1/20 0.43
CYP4F12 Q9HCS2 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL11911407 0.94 CYP4F2 (0.69) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1511313 0.90 CYP4F2 (0.69) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL6476441 0.85 CYP4F2 (0.47) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11588447 0.84 CYP4F2 (0.68) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2414789 0.84 CYP4F2 (0.53) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL25388010 0.84 TAAR1 (0.47) CYP4F2CYP4A11SMN1; SMN2ALDH1A1MAPT
SCHEMBL26636480 0.83 CYP4F2 (0.52) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL30735511 0.83 CYP4F2 (0.52) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7722448 0.83 CYP4F2 (0.70) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11659499 0.82 CYP4F2 (0.57) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353248-B1 METHOD FOR RESOLUTION OF STEREOISOMERS IN MULTIPHASE AND EXTRACTIVE MEMBRANE REACTORS SEPRACOR INC (US) 1995-03-29 EP disclosed
EP-0353248-A4 METHOD FOR RESOLUTION OF STEREOISOMERS IN MULTIPHASE AND EXTRACTIVE MEMBRANE REACTORS 1991-07-17 EP disclosed
EP-0365045-A1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1990-04-25 EP disclosed
EP-0353248-A1 METHOD FOR RESOLUTION OF STEREOISOMERS IN MULTIPHASE AND EXTRACTIVE MEMBRANE REACTORS. SEPRACOR INC (US) 1990-02-07 EP disclosed
US-4800162-A ENZYME-ACTIVATED MEMBRANE SEPRACOR, INC. (US) 1989-01-24 US disclosed
WO-1988007582-A1 METHOD FOR RESOLUTION OF STEREOISOMERS IN MULTIPHASE AND EXTRACTIVE MEMBRANE REACTORS SEPRACOR, INC. (US) 1988-10-06 WO disclosed