Benzene

Benzene

SCHEMBL10423969

COC(=O)OC.O=C(O)OCCOC(=O)O.c1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN9A Q15858 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL1516438 0.95 SMN1; SMN2 (0.36) KMT2ATSHRHSD17B10CA1CA2
SCHEMBL7185105 0.87 SMN1; SMN2 (0.35) KMT2ATSHRHSD17B10CA1CA2
SCHEMBL720477 0.84 ALDH1A1 (0.50) TSHRKDM4EHSD17B10LMNAMAPT
SCHEMBL6365093 0.84 ALDH1A1 (0.56) TSHRKDM4EHSD17B10LMNAMAPT
SCHEMBL2990903 0.84 SMN1; SMN2 (0.30) SMN1; SMN2
Benzene SCHEMBL11037140 0.84 TDP1 (0.42) TSHRHPGDHSD17B10LMNATP53
SCHEMBL633381 0.83 HCAR2 (0.43) TSHRHPGDKDM4ELMNACA1
SCHEMBL17601954 0.82 TSHR (0.37) TSHRHSD17B10POLBCA1CA2
SCHEMBL452114 0.82 HCAR2 (0.39) TSHRHPGDKDM4ELMNACA1
SCHEMBL18625527 0.82 TSHR (0.41) TSHRHPGDLMNASMN1; SMN2

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-4957833-A Non-aqueous liquid electrolyte cell BRIDGESTONE CORPORATION (JP) 1990-09-18 US disclosed