SCHEMBL8773534

SCHEMBL8773534

C#COc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.64
PTPN1 P18031 2/20 0.49
PTPRC P08575 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPRB P23467 1/20 0.49
PTPN6 P29350 1/20 0.49
CDC25A P30304 1/20 0.49
PTPN11 Q06124 1/20 0.49
HMOX1 P09601 1/20 0.48
IDO1 P14902 2/20 0.47
FFAR1 O14842 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PTPRZ1 P23471 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL8773558 0.84 APP (0.64) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL4883457 0.80 MAOB (0.72) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL8773537 0.78 PTPN1 (0.52) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL5511955 0.78 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL508697 0.78 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL23266730 0.78 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL4339843 0.78 MAOB (1.00) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL21568941 0.78 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL18164548 0.78 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB
SCHEMBL6333407 0.78 MAOB (0.70) MAOBPTPN1PTPRCPTPN2PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577555-B1 Derivatives of carboxylic acids CIBA GEIGY AG (CH) 1997-11-05 EP claimed