Phenol

Phenol

SCHEMBL2364208

CCC(CC)COC(=O)OCC(CC)CC.Oc1ccccc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ LMNA P02545 5/20 0.46
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
Phenol SCHEMBL2361531 0.81 ALDH1A1 (0.56) ALDH1A1CA2LMNACA12CA1
SCHEMBL728513 0.81 CYP1A2 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL730130 0.80 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
Phenol SCHEMBL5132995 0.79 ALDH1A1 (0.56) ALDH1A1CA2CA12CA1CA9
Phenol SCHEMBL27515432 0.79 ALDH1A1 (0.58) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL3749140 0.76 ALDH1A1 (0.65) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL16884182 0.75 ESR1 (0.65) ALDH1A1CA2CYP3A4LMNAHSD17B10
SCHEMBL6896113 0.74 ALDH1A1 (0.62) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL420283 0.74 ALDH1A1 (0.76) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL1837097 0.73 CYP1A2 (0.58) LMNAGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640357-B1 METHOD FOR PRODUCING AROMATIC CARBONATE ASAHI KASEI CHEMICALS CORP (JP) 2011-08-31 — — EP disclosed
US-7652122-B2 Method for producing an aromatic carbonate ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-01-26 — — US disclosed
US-20070055042-A1 Method for producing an aromatic carbonate ASAHI KASEI KABUSHIKI KAISHA (JP) 2007-03-08 — — US disclosed
EP-1640357-A1 METHOD FOR PRODUCING AROMATIC CARBONATE Asahi Kasei Chemicals Corporation (JP) 2006-03-29 — — EP disclosed
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