SCHEMBL380283

SCHEMBL380283

OC1C[C@@H](c2ccccc2)Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.45
ADORA3 P0DMS8 3/20 0.45
AR P10275 3/20 0.45
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.41
CFTR P13569 1/20 0.40
HSD11B1 P28845 1/20 0.40
AKR1C3 P42330 1/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.39
PSMB5 P28074 1/20 0.39

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
SCHEMBL1267388 1.00 CYP19A1 (0.45) CYP19A1ADORA3ARMAOBKDM4E
SCHEMBL30064231 1.00 CYP19A1 (0.45) CYP19A1ADORA3ARMAOBKDM4E
SCHEMBL25567835 0.88 CYP3A4 (0.50) CYP19A1ADORA3ARMAOBHSD17B10
SCHEMBL20047288 0.83 CFTR (0.48) CYP19A1ARCFTR
SCHEMBL7048656 0.82 CYP19A1 (0.60) CYP19A1ARMAOBHSD17B10CYP3A4
SCHEMBL1933778 0.82 CYP19A1 (0.60) CYP19A1ARMAOBHSD17B10CYP3A4
SCHEMBL4365834 0.82 AR (0.54) CYP19A1ADORA3ARMAOBHSD17B10
SCHEMBL1933397 0.81 CYP19A1 (0.44) CYP19A1ARMAOBMAOA
SCHEMBL10366584 0.80 MAOB (0.41) CYP19A1ADORA3ARMAOBKDM4E
SCHEMBL11093832 0.79 CYP19A1 (0.42) CYP19A1ADORA3ARMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408927-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2012-01-25 EP disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 WO disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
EP-1778850-A2 PRODUCTION OF FLAVONOIDS BY RECOMBINANT MICROORGANISMS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-05-02 EP disclosed
WO-2006010117-A2 PRODUCTION OF FLAVONOIDS BY RECOMBINANT MICROORGANISMS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-01-26 WO disclosed