SCHEMBL28535627

SCHEMBL28535627

CCCCCCCCc1cc2ccc3cccc4c(C(=O)O)cc(c1)c2c34

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
KAT8 Q9H7Z6 2/20 0.47
DHODH Q02127 1/20 0.45
PPARG P37231 2/20 0.44
RARB P10826 3/20 0.43
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
PLK1 P53350 8/20 0.42
PLK3 Q9H4B4 3/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL28898512 0.82 KAT8 (0.57) PPARAKAT8DHODHPPARGRARB
SCHEMBL27083008 0.81 PTGS2 (0.48) KDM4E
Butyric Acid SCHEMBL9317231 0.80 KMT2A (0.56) KDM4E
SCHEMBL10478169 0.80 KMT2A (0.60) KDM4E
SCHEMBL15993628 0.80 TDP1 (0.47) KDM4E
SCHEMBL27082997 0.80 LPL (0.38) KDM4E
SCHEMBL20437813 0.77 RARB (0.56) PPARAKAT8PPARGRARBRARA
SCHEMBL28303628 0.77 TDP1 (0.41) KDM4E
SCHEMBL25223402 0.76 PPARA (0.59) PPARAKAT8PPARGRARBRARA
SCHEMBL344421 0.76 PPARA (0.59) PPARAKAT8DHODHPPARGRARB

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-106083573-B Organic ligand, preparation method thereof, quantum dot layer and light-emitting diode 京东方科技集团股份有限公司 2021-03-23 CN disclosed