SCHEMBL9729952

SCHEMBL9729952

ONCC1=Cc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2OC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.67
MAOB P27338 11/20 0.47
MAOA P21397 5/20 0.47
MTNR1A P48039 2/20 0.47
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Formamide SCHEMBL9730285 0.95 ALOX5 (0.67) ALOX5MAOBMAOAMTNR1AMEN1
SCHEMBL9729866 0.87 ALOX5 (0.63) ALOX5MAOBMAOAMTNR1A
Formamide SCHEMBL9729701 0.83 ALOX5 (0.62) ALOX5MAOBMAOAMTNR1A
SCHEMBL9730281 0.80 ALOX5 (1.00) ALOX5
SCHEMBL9729591 0.78 ALOX5 (0.61) ALOX5MAOBMAOAMEN1NPC1
Formamide SCHEMBL9729640 0.75 ALDH1A1 (0.53) ALOX5MTNR1AKMT2A
Hydrochloric Acid SCHEMBL9729584 0.75 MTNR1A (0.73) ALOX5MAOBMTNR1AMEN1KMT2A
SCHEMBL12440576 0.75 ALOX5 (0.52) ALOX5MAOBMAOA
SCHEMBL9729814 0.75 ALOX5 (0.65) ALOX5MAOBMAOAMTNR1A
SCHEMBL9730115 0.73 ALOX5 (0.64) ALOX5MTNR1A

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