SCHEMBL6743657

SCHEMBL6743657

C=C(C(=O)O)C(Br)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.39
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
SHBG P04278 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
DPP4 P27487 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL2867264 0.78 EPHX1 (0.52) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14916107 0.78 EPHX1 (0.52) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL479250 0.78 EPHX1 (0.52) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4015606 0.78 EPHX1 (0.44) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4422113 0.78 EPHX1 (0.44) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4957639 0.78 EPHX1 (0.44) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11225412 0.77 EPHX1 (0.48) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6824087 0.77 EPHX1 (0.40) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL43523 0.76 EPHX1 (0.48) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1088361 0.75 EPHX1 (0.39) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6695880-B1 Intraocular lenses and methods for their manufacture JOHNSON & JOHNSON VISION CARE, INC. 2004-02-24 US disclosed
EP-1333775-A2 INTRAOCULAR LENSES AND METHODS FOR THEIR MANUFACTURE Johnson & Johnson Vision Care, Inc. (US) 2003-08-13 EP disclosed
WO-2002034158-A2 INTRAOCULAR LENSES AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2002-05-02 WO disclosed