SCHEMBL9729591

SCHEMBL9729591

O=CC1=Cc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2OC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.61
MAOB P27338 11/20 0.55
MAOA P21397 5/20 0.55
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AR P10275 1/20 0.43
PTPN1 P18031 1/20 0.41

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
SCHEMBL10088900 0.91 MAOB (0.55) ALOX5MAOBMAOAMEN1NPC1
SCHEMBL9729518 0.85 ALOX5 (0.59) ALOX5MAOBMAOAMEN1NPC1
Formamide SCHEMBL9730285 0.81 ALOX5 (0.67) ALOX5MAOBMAOAMEN1NPC1
SCHEMBL28002706 0.80 PTGS2 (0.47) ALOX5MAOB
SCHEMBL9729952 0.78 ALOX5 (0.67) ALOX5MAOBMAOAMEN1NPC1
SCHEMBL2326732 0.77 SRD5A1 (0.42) ALOX5MAOBMAOAAR
SCHEMBL10088453 0.76 NPC1 (0.54) ALOX5MAOBMAOAMEN1NPC1
SCHEMBL10088917 0.76 MAOA (0.39) ALOX5MAOBMAOAAR
SCHEMBL9730281 0.76 ALOX5 (1.00) ALOX5
SCHEMBL10089019 0.74 AR (0.38) ALOX5MAOBMAOAMEN1NPC1

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
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed