SCHEMBL9303334

SCHEMBL9303334

CC(OC1=CCCC=C1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL26796368 0.75
SCHEMBL12656215 0.73
SCHEMBL6365363 0.70
SCHEMBL10204469 0.70 CYP1A2 (0.35) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL25045041 0.69
SCHEMBL11902996 0.69 GLA (0.33) PKM
SCHEMBL26857573 0.69
SCHEMBL24302264 0.69
SCHEMBL10722842 0.68
SCHEMBL4018304 0.68 PTGS2 (0.33) CYP1A2CYP2C9CYP2C19TSHRHTR2A

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
US-5296363-A Oxidizing 2-phenoxypropionic acid under aerobic conditions in presence of soil inhabiting Streptomycetes bacteria or fungus BASE AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed