SCHEMBL4429074

SCHEMBL4429074

Clc1cccc([C]c2cccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.44
CYP1A2 P05177 6/20 0.41
CYP2A6 P11509 2/20 0.41
CYP1B1 Q16678 5/20 0.38
CYP1A1 P04798 4/20 0.38
GRM5 P41594 3/20 0.38
CHAT P28329 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HPRT1 P00492 1/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4429076 1.00 FADS1 (0.44) FADS1CYP1A2CYP2A6CYP1B1CYP1A1
SCHEMBL1141388 0.81 CHAT (0.44) CYP1A2CYP2A6GRM5CHATCA1
SCHEMBL10432886 0.81 CHAT (0.44) CYP1A2CYP2A6GRM5CHATCA1
SCHEMBL1141385 0.81 CHAT (0.44) CYP1A2CYP2A6GRM5CHATCA1
SCHEMBL1141298 0.76 HPRT1 (0.52) CYP1A2CYP2A6CYP1B1GRM5CHAT
SCHEMBL814962 0.76 HPRT1 (0.52) CYP1A2CYP2A6CYP1B1GRM5CHAT
SCHEMBL2862005 0.76 KCNH2 (0.50) GRM5KCNH2
SCHEMBL10804459 0.76 HPRT1 (0.52) CYP1A2CYP2A6CYP1B1GRM5CHAT
SCHEMBL18607864 0.69 CHAT (0.40) FADS1CYP1A2CYP2A6CYP1B1GRM5
SCHEMBL8434860 0.68 SERPINE1 (0.50) FADS1CYP1A2CYP2A6CYP1B1CYP1A1

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-2275457-B1 Propylene-based polymer composition, and molded products, sheets, films, laminates and non-woven fabrics obtained therefrom MITSUI CHEMICALS INC (JP) 2016-11-23 EP disclosed
EP-2080784-A1 PROPYLENE RESIN COMPOSITION, METHOD FOR PRODUCING PROPYLENE RESIN COMPOSITION, PROPYLENE POLYMER COMPOSITION, MOLDED BODY MADE OF THE PROPYLENE RESIN COMPOSITION, AND ELECTRIC WIRE Mitsui Chemicals, Inc. (JP) 2009-07-22 EP disclosed