Benzene

Benzene

SCHEMBL28337061

OB(O)O.OB(O)O.OB(O)O.OB(O)O.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 1/20 0.43
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
ENPP2 Q13822 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
PCSK9 Q8NBP7 1/20 0.40
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
CA1 P00915 3/20 0.32
CA2 P00918 2/20 0.32
MGLL Q99685 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
Benzene SCHEMBL2112459 1.00 TSHR (0.57) TSHRLMNATDP1TP53CA4
Benzene SCHEMBL19579529 1.00 TSHR (0.57) TSHRLMNATDP1TP53CA4
Benzene SCHEMBL28437383 1.00 TSHR (0.57) TSHRLMNATDP1TP53CA4
Benzene SCHEMBL29004562 0.94 TSHR (0.50) TSHRLMNATDP1TP53CA4
Benzene SCHEMBL9196882 0.94 TSHR (0.50) TSHRLMNATDP1TP53CA4
Benzene SCHEMBL28965968 0.88 TSHR (0.44) TSHRLMNATDP1TP53CA4
Benzene SCHEMBL7614460 0.88 TSHR (0.44) TSHRLMNATDP1TP53CA4
Boric Acid SCHEMBL241928 0.84
Boric Acid SCHEMBL28948766 0.77
Boric Acid SCHEMBL6366794 0.77

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
CN-110499025-A Semiconductor-sealing-purpose thermosetting property maleimide resin composition and semiconductor device SHINETSU CHEMICAL CO 2019-11-26 CN disclosed