Phenol

Phenol

SCHEMBL28058402

C1CNCN1.Oc1ccccc1.c1csnn1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA14 Q9ULX7 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
Piperazine SCHEMBL27857238 0.74 CXCR4 (0.33) —
Biphenyl SCHEMBL27625435 0.70 NOTUM (0.44) TDP1
Phenol SCHEMBL10791210 0.70 CA12 (0.65) CA12CA1CA2GLACA3
Phenol SCHEMBL10791213 0.70 CA12 (0.65) CA12CA1CA2GLACA3
Phenol SCHEMBL5874295 0.70 CA12 (0.65) CA12CA1CA2GLACA3
Benzene SCHEMBL27686656 0.70 — —
Pyrrolidine SCHEMBL5946049 0.68 ALDH1A1 (0.38) —
Phenol SCHEMBL27280139 0.68 CA12 (0.61) CA12CA1CA2GLACA3
Phenol SCHEMBL28217458 0.68 CA12 (0.61) CA12CA1CA2GLACA3
Toluene SCHEMBL27908305 0.67 LMNA (0.48) TDP1

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-105331426-A Anti-rust extreme pressure lithium lubricating grease composition and preparation method CHINA PETROLEUM & CHEMICAL 2016-02-17 — — CN claimed
CN-105331426-A Anti-rust extreme pressure lithium lubricating grease composition and preparation method CHINA PETROLEUM & CHEMICAL 2016-02-17 — — CN disclosed
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