SCHEMBL11029458

SCHEMBL11029458

C=CCc1cccc(OCCCC=C(C)C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
PPARD Q03181 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
ELANE P08246 1/20 0.39
GAA P10253 2/20 0.38
PPARA Q07869 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL11029455 0.79 KDM4E (0.47) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL23457204 0.78 KDM4E (0.47) KDM4EPPARDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL150621 0.78 ALDH1A1 (0.45) KDM4EPPARDGABRA1GABRB2ALDH1A1
SCHEMBL3458335 0.78 GABRA1 (0.51) KDM4EGABRA1GABRB2ALDH1A1MAPK1
SCHEMBL15283972 0.77 LMNA (0.50) KDM4EPPARDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14695733 0.76 GABRA1 (0.53) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL10433454 0.76 KDM4E (0.56) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL7856426 0.75 PTGDR2 (0.56) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL7856423 0.74 GABRA1 (0.53) KDM4EGABRA1GABRB2SMN1; SMN2MAPK1
SCHEMBL2848296 0.73 GABRA1 (0.49) KDM4EGABRA1GABRB2ALDH1A1MAPK1

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
JP-60127317-A None JP disclosed
JP-S60127317-A MANUFACTURE OF CURABLE COMPOSITION TOAGOSEI CHEM IND CO LTD 1985-07-08 JP disclosed