SCHEMBL4886609

SCHEMBL4886609

CCC(Cc1ccccc1)C(=O)C(CC)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
CPA1 P15085 7/20 0.55
CPA3 P15088 3/20 0.55
FOLH1 Q04609 2/20 0.55
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55
PPARG P37231 2/20 0.54
TRPA1 O75762 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
EPHX2 P34913 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48

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
SCHEMBL491524 0.88 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL265514 0.88 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL265063 0.88 CYP1A2 (0.83) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1195866 0.87 CYP1A2 (0.74) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL21895912 0.86 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL11634382 0.86 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6722161 0.86 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL620307 0.84 CYP1A2 (0.64) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1825965 0.84 CYP1A2 (0.64) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL5710051 0.84 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1

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
US-20080131812-A1 Resin for printing plate material and lithographic printing plate material by use thereof KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-06-05 US disclosed
US-4247611-A ACETAL RESIN, ACID DONER HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed