Benzene

Benzene

SCHEMBL8556837

C=CCN(CC)CC=C.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.33
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRD1 P41143 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
KCNH2 Q12809 3/20 0.32
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
ADRA1A P35348 2/20 0.32
DRD3 P35462 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL516030 0.91
Bromide SCHEMBL9820055 0.88 MEN1 (0.41) KMT2AMEN1POLBALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL4632527 0.88 MEN1 (0.41) KMT2AMEN1POLBALDH1A1TDP1
Hydrochloric Acid SCHEMBL1171516 0.88 MEN1 (0.41) KMT2AMEN1POLBALDH1A1OPRM1
SCHEMBL11575083 0.85
SCHEMBL251491 0.85
Thiophene SCHEMBL11972109 0.84 MEN1 (0.32) KMT2AMEN1POLB
Alcohol SCHEMBL19510255 0.83 MEN1 (0.38) KMT2AMEN1POLBKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL19253563 0.82
SCHEMBL11177046 0.82

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
US-5980878-A A WATER OR ALCOHOL SOLUBLE OR DISPERSIBLE RANDOM COPOLYMERS COMPRISING A HYDROPHILIC MACROMONOMER UNITS HAVING UNSATURATED ALKYL QUATERNIZED NITROGEN GROUP; FOR HAIR STYLING, TOPICAL SKIN CARE FOR DRUG DELIVERY, TRANSDERMAL THE PROCTER & GAMBLE COMPANY (US) 1999-11-09 US disclosed
EP-0706536-A1 THERMOPLASTIC ELASTOMERIC COPOLYMERS AND HAIR AND SKIN CARE, COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1996-04-17 EP disclosed
WO-1995001383-A1 THERMOPLASTIC ELASTOMERIC COPOLYMERS AND HAIR AND SKIN CARE, COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1995-01-12 WO disclosed