SCHEMBL3634705

SCHEMBL3634705

CC(=O)C(Br)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.43
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP2 P08253 2/20 0.37
CA9 Q16790 2/20 0.37
DHODH Q02127 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX2 P34913 1/20 0.36
SHBG P04278 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL9936521 0.87
SCHEMBL11225412 0.82 EPHX1 (0.48) EPHX1CA12CA1CA2MMP2
SCHEMBL4422113 0.78 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4957639 0.78 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4015606 0.78 EPHX1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1779032 0.76 EPHX1 (0.60) EPHX1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL1616204 0.76 EPHX1 (0.43) EPHX1CA12CA1CA2MMP2
SCHEMBL20740436 0.76 TP53 (0.50) EPHX1CA12CA1CA2MMP2
SCHEMBL1605366 0.76 TP53 (0.50) EPHX1CA12CA1CA2MMP2
SCHEMBL14218540 0.76 TP53 (0.50) EPHX1CA12CA1CA2MMP2

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
EP-2160775-A1 HETEROPYRENE-BASED SEMICONDUCTOR MATERIALS FOR ELECTRONIC DEVICES Eastman Kodak Company (US) 2010-03-10 EP disclosed
WO-2009002405-A1 HETEROPYRENE-BASED SEMICONDUCTOR MATERIALS FOR ELECTRONIC DEVICES EASTMAN KODAK COMPANY (US) 2008-12-31 WO disclosed