Benzene

Benzene

SCHEMBL6962050

CC(C)O.CCN(CC)CC.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ADRA2A P08913 2/20 0.35
KCNH2 Q12809 2/20 0.35
PGR P06401 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
Isopropyl Alcohol SCHEMBL3893557 0.90 ALDH1A1 (0.46) ALDH1A1LMNATSHRCHRM2CHRM1
Isopropyl Alcohol SCHEMBL18984957 0.87 ALDH1A1 (0.43) ALDH1A1LMNATSHRCHRM2CHRM1
Isopropyl Alcohol SCHEMBL28231979 0.87 ALDH1A1 (0.43) ALDH1A1LMNATSHRCHRM2CHRM1
Toluene SCHEMBL7694570 0.83 LMNA (0.48) ALDH1A1LMNATSHRSIGMAR1ADRA2A
SCHEMBL8186085 0.83 TSHR (0.44) ALDH1A1LMNATSHRCHRM2CHRM1
Benzene SCHEMBL1394090 0.83 KCNH2 (0.42) ALDH1A1TSHRSIGMAR1ADRA2AKCNH2
Acetic Acid SCHEMBL9796859 0.82 CHRM2 (0.41) ALDH1A1LMNATSHRADRA2AKCNH2
Isopropyl Alcohol SCHEMBL3202296 0.81 ALDH1A1 (0.42) ALDH1A1LMNATSHRCHRM2CHRM1
Cyclohexane SCHEMBL322604 0.81 ALDH1A1 (0.38) ALDH1A1LMNATSHRCHRM2CHRM1
Acetic Acid SCHEMBL5903857 0.80 CHRM2 (0.39) ALDH1A1LMNATSHRADRA2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765160-B1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS UNIV RAMOT (IL) 2003-04-16 EP disclosed
US-6096740-A BLOCK N-METHYL-ASPARTATE RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 2000-08-01 US disclosed
EP-0765160-A4 1997-04-09 EP disclosed
EP-0765160-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY, AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 1997-04-02 EP disclosed
WO-1995020958-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 1995-08-10 WO disclosed