SCHEMBL11029455

SCHEMBL11029455

C=CCc1cccc(OCCCCC(=C)C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PPARA Q07869 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 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
SCHEMBL11068263 0.88 KDM4E (0.59) KDM4EALDH1A1PPARAKMT2AGAA
SCHEMBL7898719 0.84 JAK2 (0.40) GAALMNA
SCHEMBL11066410 0.81 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11029458 0.79 KDM4E (0.47) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL3458335 0.78 GABRA1 (0.51) KDM4EGABRA1GABRB2ALDH1A1ELANE
SCHEMBL7856426 0.78 PTGDR2 (0.56) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL150620 0.77 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14695733 0.76 GABRA1 (0.53) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2
SCHEMBL15283971 0.76 GAA (0.53) KDM4ESMN1; SMN2GAALMNAHPGD
SCHEMBL10454511 0.75 GABRA1 (0.54) KDM4EGABRA1GABRB2ALDH1A1SMN1; SMN2

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