SCHEMBL988043

SCHEMBL988043

O=C(OC1CCCCC1)C(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
CYP19A1 P11511 3/20 0.45
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
NAAA Q02083 2/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GPR35 Q9HC97 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL985072 0.98 CYP19A1 (0.42) EPHX1CYP19A1CA12CA1CA2
SCHEMBL26357327 0.83 CYP19A1 (0.50) EPHX1CYP19A1CA12CA1CA2
SCHEMBL26357258 0.80 CYP19A1 (0.47) EPHX1CYP19A1CA12CA1CA2
SCHEMBL11049098 0.79 CYP19A1 (0.41) EPHX1CYP19A1CA12CA1CA2
SCHEMBL985386 0.78 CYP19A1 (0.39) EPHX1CYP19A1SMN1; SMN2NPC1RAB9A
SCHEMBL14606265 0.77 CYP19A1 (0.49) EPHX1CYP19A1CA12CA1CA2
SCHEMBL2182130 0.77 CYP19A1 (0.53) EPHX1CYP19A1CA12CA1CA2
SCHEMBL28317353 0.77 CYP19A1 (0.53) EPHX1CYP19A1CA12CA1CA2
SCHEMBL4425518 0.77 EPHX1 (0.45) EPHX1CYP19A1CA12CA1CA2
SCHEMBL29328733 0.77 EPHX1 (0.40) EPHX1CYP19A1CA12CA1CA2

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