SCHEMBL28006642

SCHEMBL28006642

CCC=CCCc1ccccc1.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 15/20 0.51
▸ EPHX2 P34913 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL28006982 0.90 GPR52 (0.40) GPR52
SCHEMBL28826878 0.84 GPR52 (0.47) GPR52ALDH1A1KDM4E
SCHEMBL28006617 0.83 TOP1 (0.43) GPR52ALDH1A1KDM4E
SCHEMBL28006977 0.81 GPR52 (0.56) GPR52EPHX2KDM4E
Phenylethyl Alcohol SCHEMBL28016810 0.81 TDP1 (0.48) GPR52ALDH1A1KDM4E
SCHEMBL27802244 0.81 ALDH1A1 (0.38) EPHX2ALDH1A1KDM4E
SCHEMBL28006956 0.80 RARB (0.59) ALDH1A1
Phenethylamine SCHEMBL27459899 0.80 HTR2A (0.47) GPR52ALDH1A1KDM4E
SCHEMBL27892637 0.80 GPR52 (0.45) GPR52ALDH1A1KDM4E
SCHEMBL9960225 0.79 FOLH1 (0.51) GPR52

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-107208120-A Rapid pretreatment 斯威特沃特能源公司 2017-09-26 — — CN disclosed
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
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