Benzene

Benzene

SCHEMBL11545210

CC(C)=O.CC(C)=O.CC(C)=O.c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
FFAR3 O14843 2/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
TSHR P16473 3/20 0.46
THPO P40225 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 3/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
Benzene SCHEMBL11307929 1.00 LMNA (0.67) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL11152373 1.00 LMNA (0.67) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL11170563 1.00 LMNA (0.67) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL11765690 1.00 LMNA (0.67) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL312284 1.00 LMNA (0.67) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL10771333 1.00 LMNA (0.67) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL28115521 0.95 LMNA (0.60) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL9149417 0.95 LMNA (0.60) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL3673826 0.95 FFAR3 (0.70) LMNAFFAR3LCKFYNTSHR
Benzene SCHEMBL11551346 0.95 LMNA (0.60) LMNAFFAR3LCKFYNTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179503-A DIURETICS AMERICAN HOME PRODUCTS CORP. (US) 1979-12-18 US disclosed
EP-0005365-A1 Pyrano and thiopyrano (3,4-b) indole derivatives, processes for their preparation and pharmaceutical compositions containing them AMERICAN HOME PRODUCTS CORPORATION (US) 1979-11-14 EP disclosed