SCHEMBL28418503

SCHEMBL28418503

CCC=Cc1c(C)ccc(C(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SELL P14151 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ HMGB1 P09429 2/20 0.38
▸ CXCL12 P48061 1/20 0.38
▸ GRM1 Q13255 1/20 0.37
▸ ERN1 O75460 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LDHA P00338 1/20 0.35
▸ HAAO P46952 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ SLC22A6 Q4U2R8 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
SCHEMBL11511893 0.79 SLC22A6 (0.49) ALDH1A1SELLSELPMAPTMCL1
SCHEMBL21009528 0.77 TYMP (0.35) ALDH1A1
SCHEMBL8509004 0.77 ERN1 (0.53) KDM4EALDH1A1HPGDHSD17B10SELL
SCHEMBL30277835 0.74 SELL (0.46) KDM4EALDH1A1HPGDHSD17B10SELL
SCHEMBL30083685 0.72 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10SELL
SCHEMBL857301 0.72 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10SELL
SCHEMBL2581660 0.72 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10SELL
SCHEMBL11777515 0.71 SELL (0.54) KDM4EALDH1A1HPGDHSD17B10SELL
SCHEMBL317576 0.70 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10SELL
SCHEMBL30149140 0.70 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10SELL

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-107266318-B Polysiloxane compound, method for preparing the same, and copolycarbonate resin comprising the same LG化学株式会社 2020-07-03 — — CN disclosed
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