Benzene

Benzene

SCHEMBL27487355

CCC(C)(P)C(=O)c1ccccc1C.[LiH].c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HPGD P15428 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ GAA P10253 1/20 0.39
▸ GPR52 Q9Y2T5 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL27595778 0.77 F2R (0.36) MAPK1HPGDKMT2AGAAGPR52
SCHEMBL27614483 0.74 FOLH1 (0.38) KMT2ASMN1; SMN2GAAGPR52MYC
SCHEMBL7949878 0.74 HPGD (0.47) ERCC5FEN1HPGDKMT2ASMN1; SMN2
SCHEMBL18648101 0.72 ERCC5 (0.42) ERCC5FEN1TSHRMAPK1HPGD
SCHEMBL29067261 0.72 ERCC5 (0.42) ERCC5FEN1TSHRMAPK1HPGD
SCHEMBL5096830 0.72 HPGD (0.46) ERCC5FEN1TSHRMAPK1HPGD
SCHEMBL10455866 0.72 HPGD (0.46) ERCC5FEN1HPGDKMT2ASMN1; SMN2
SCHEMBL19278858 0.72 HPGD (0.46) ERCC5FEN1HPGDKMT2ASMN1; SMN2
SCHEMBL13052068 0.71 TSHR (0.52) ERCC5FEN1TSHRMAPK1HPGD
Toluic Acid SCHEMBL8146452 0.71 MYC (0.46) ERCC5FEN1TSHRMAPK1HPGD

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
CN-1198831-C Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2005-04-27 — — CN disclosed
CN-1329005-A Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2002-01-02 — — CN disclosed
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