Benzene

Benzene

SCHEMBL9253514

CC(C)c1cc(C(=O)O)c(O)c(C(C)C)c1.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.58
FABP4 P15090 2/20 0.58
GABRA1 P14867 3/20 0.55
GABRB2 P47870 1/20 0.55
BCL2 P10415 2/20 0.46
MCL1 Q07820 2/20 0.46
GABRB1 P18505 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FABP5 Q01469 1/20 0.43

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
SCHEMBL212716 0.98 FABP3 (0.60) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL29593831 0.98 FABP3 (0.60) FABP3FABP4GABRA1GABRB2BCL2
Water SCHEMBL5706121 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL6910525 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL28203848 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL11794494 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL11797932 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL10618114 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL11783529 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2
SCHEMBL11783537 0.96 FABP3 (0.58) FABP3FABP4GABRA1GABRB2BCL2

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
EP-0338808-B1 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INT INC (US) 1995-08-23 EP disclosed
US-5017546-A Metallized phenolic resins SCHENECTADY INTERNATIONAL, INC. 1991-05-21 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed