Benzene

Benzene

SCHEMBL9744613

CC(COC(=O)O)OC(=O)O.c1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.37
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
P2RX4 Q99571 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15308 0.95 TSHR (0.37) TSHRALDH1A1MAPTRAB9A
SCHEMBL15053822 0.95 TSHR (0.37) TSHRALDH1A1MAPTRAB9A
SCHEMBL8727210 0.95 TSHR (0.37) TSHRALDH1A1MAPTRAB9A
SCHEMBL748244 0.95 TSHR (0.37) TSHRALDH1A1MAPTRAB9A
Methane SCHEMBL2179835 0.93 TSHR (0.35) TSHRALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL9513085 0.93 TSHR (0.35) TSHRALDH1A1MAPT
Methyl Alcohol SCHEMBL9400635 0.93 TSHR (0.35) TSHRALDH1A1MAPT
Fluoride SCHEMBL6427102 0.93 TSHR (0.35) TSHRALDH1A1MAPT
SCHEMBL7262572 0.93 TSHR (0.35) TSHRALDH1A1MAPT
Ethane SCHEMBL10522900 0.93 TSHR (0.35) TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110961-A Opening oxirane ring; cobalt carbonyl complexed with tin, lead or cadmium by electroreduction SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1992-05-05 US disclosed