SCHEMBL9824061

SCHEMBL9824061

CCCCNc1cc(C)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 9/20 0.64
▸ KDM6B O15054 2/20 0.58
▸ KDM4C Q9H3R0 2/20 0.58
▸ PLK3 Q9H4B4 1/20 0.54
▸ CISD1 Q9NZ45 6/20 0.51
▸ TRPM2 O94759 1/20 0.50
▸ GUCY1A1 Q02108 1/20 0.49
▸ GUCY1B1 Q02153 1/20 0.49
▸ HCAR3 P49019 1/20 0.47

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
SCHEMBL28110422 0.95 PLK1 (0.67) PLK1KDM6BKDM4CPLK3CISD1
SCHEMBL28293669 0.90 PLK1 (0.54) PLK1KDM6BKDM4CPLK3CISD1
SCHEMBL28293667 0.88 PLK1 (0.52) PLK1KDM6BKDM4CPLK3CISD1
SCHEMBL22097708 0.84 HCAR3 (0.60) PLK1KDM6BKDM4CCISD1HCAR3
SCHEMBL5386530 0.83 PLK1 (0.58) PLK1KDM4CPLK3TRPM2
SCHEMBL28109945 0.83 PLK1 (0.67) PLK1PLK3CISD1TRPM2HCAR3
SCHEMBL28912518 0.83 KDM6B (0.57) PLK1KDM6BKDM4CPLK3CISD1
SCHEMBL29223566 0.83 ALDH1A1 (0.61) PLK1PLK3GUCY1A1GUCY1B1
SCHEMBL28295487 0.81 PLK1 (0.47) PLK1KDM6BKDM4C
SCHEMBL29033346 0.81 KDM6B (0.57) PLK1KDM6BKDM4CCISD1HCAR3

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
EP-0416837-A1 Photoprotection compositions having reduced dermal irritation Richardson-Vicks, Inc. (US) 1991-03-13 — — EP disclosed
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