Benzene

Benzene

SCHEMBL9247233

Cc1cc(C(=O)O)c(O)c(C(C)C)c1.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.46
MCL1 Q07820 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CSNK2A1 P68400 1/20 0.44
TTR P02766 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
NOTUM Q6P988 1/20 0.41
HMGB1 P09429 1/20 0.41

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
SCHEMBL27658629 0.98 KDM4E (0.47) BCL2MCL1GABRA1GABRB1KDM4E
SCHEMBL13640224 0.83 GAA (0.46) BCL2MCL1GABRA1GABRB1ALDH1A1
SCHEMBL7782911 0.82 TYR (0.45) BCL2MCL1KDM4EALDH1A1HPGD
Benzene SCHEMBL9253514 0.81 FABP3 (0.58) BCL2MCL1GABRA1GABRB1KDM4E
SCHEMBL40170 0.81 ALDH1A1 (0.48) BCL2MCL1GABRA1GABRB1KDM4E
SCHEMBL14124078 0.80 TTR (0.45) KDM4EALDH1A1HPGDCSNK2A1TTR
SCHEMBL5029492 0.80 CSNK2A1 (0.58) MCL1KDM4EALDH1A1HPGDCSNK2A1
SCHEMBL29593831 0.79 FABP3 (0.60) BCL2MCL1GABRA1GABRB1KDM4E
SCHEMBL22005119 0.79 GABRA1 (0.51) BCL2MCL1GABRA1GABRB1KDM4E
SCHEMBL212716 0.79 FABP3 (0.60) BCL2MCL1GABRA1GABRB1KDM4E

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 4 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
US-4374671-A CONTAINING ZINC OXIDE, A SALICYCLIC ACID AND A METAL SISLICATE FUJI PHOTO FILM CO.LTD. (JP) 1983-02-22 US disclosed