Benzene

Benzene

SCHEMBL6550823

CC(=O)SS.c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL905708 0.89
Benzene SCHEMBL11545210 0.71 LMNA (0.67) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL1761127 0.71 FFAR3 (0.78) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL30925595 0.71 FFAR3 (0.78) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL21273372 0.71 FFAR3 (0.78) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL11152373 0.71 LMNA (0.67) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL11307929 0.71 LMNA (0.67) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL11765690 0.71 LMNA (0.67) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL10771333 0.71 LMNA (0.67) FFAR3LCKFYNCA9CA1
Benzene SCHEMBL312284 0.71 LMNA (0.67) FFAR3LCKFYNCA9CA1

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-1023310-B2 IMPROVED SYNTHESIS OF SULFURIZED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2014-05-21 EP disclosed
EP-1023310-B1 IMPROVED SYNTHESIS OF SULFURIZED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2004-12-08 EP disclosed
US-6242591-B1 Synthesis of sulfurized 2'-substituted oligonucleotides ISIS PHARMACEUTICALS, INC. 2001-06-05 US disclosed