SCHEMBL985072

SCHEMBL985072

O=C(OC1CCCC1)C(Cl)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
EPHX1 P07099 2/20 0.42
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NAAA Q02083 2/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR35 Q9HC97 2/20 0.34
CHRM3 P20309 3/20 0.33

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
SCHEMBL988043 0.98 EPHX1 (0.45) CYP19A1EPHX1CA12CA1CA2
SCHEMBL26357258 0.82 CYP19A1 (0.47) CYP19A1EPHX1CA12CA1CA2
SCHEMBL985386 0.80 CYP19A1 (0.39) CYP19A1EPHX1SMN1; SMN2CHRM3
SCHEMBL26357327 0.80 CYP19A1 (0.50) CYP19A1EPHX1CA12CA1CA2
SCHEMBL26357373 0.77 CYP19A1 (0.44) CYP19A1EPHX1NAAACYP2C19HTT
SCHEMBL11049098 0.77 CYP19A1 (0.41) CYP19A1EPHX1CA12CA1CA2
SCHEMBL1682649 0.76 CYP19A1 (0.50) CYP19A1EPHX1CA12CA1CA2
SCHEMBL27976432 0.76 CYP19A1 (0.42) CYP19A1EPHX1CA12CA1CA2
SCHEMBL4425518 0.74 EPHX1 (0.45) CYP19A1EPHX1CA12CA1CA2
SCHEMBL2182130 0.74 CYP19A1 (0.53) CYP19A1EPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160349088-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES PATEL GORDHANBHAI (US) 2016-12-01 US disclosed
EP-2475612-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES JP LABORATORIES, INC. (US) 2012-07-18 EP disclosed
WO-2011031959-A1 MONITORING DEVICES AND PROCESSES BASED ON TRANSFORMATION, DESTRUCTION AND CONVERSION OF NANOSTRUCTURES JP LABORATORIES, INC. (US) 2011-03-17 WO disclosed
US-20110003279-A1 Monitoring devices and processes based on transformation, destruction and conversion of nanostructures PATEL GORDHANBHAI NATHALAL 2011-01-06 US disclosed