SCHEMBL21409710

SCHEMBL21409710

CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc(OC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CNR1 P21554 2/20 0.52
POLM Q9NP87 1/20 0.52
POLK Q9UBT6 1/20 0.52
POLL Q9UGP5 1/20 0.52
POLH Q9Y253 1/20 0.52
PRKCA P17252 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN7 P35236 1/20 0.49

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
SCHEMBL28964229 0.89 KMT2A (0.51) KMT2ASMN1; SMN2CNR1POLMPOLK
SCHEMBL10940165 0.89 PSMB11 (0.59) KMT2ASMN1; SMN2CNR1POLMPOLK
SCHEMBL10499101 0.87 KMT2A (0.52) KMT2ASMN1; SMN2CNR1POLMPOLK
SCHEMBL411308 0.87 SOAT2 (0.58) KMT2APOLMPOLKPOLLPOLH
SCHEMBL28290255 0.87 SOAT2 (0.58) KMT2APOLMPOLKPOLLPOLH
SCHEMBL411307 0.87 SOAT2 (0.58) KMT2APOLMPOLKPOLLPOLH
SCHEMBL10780264 0.86 THRB (0.58) KMT2ASMN1; SMN2CNR1POLMPOLK
SCHEMBL18481221 0.86 TP53 (0.55) KMT2ASMN1; SMN2ALDH1A1KDM4EF7
SCHEMBL17078363 0.86 PSMB11 (0.56) KMT2ASMN1; SMN2CNR1ALDH1A1KDM4E
SCHEMBL5386778 0.86 KMT2A (0.70) KMT2ASMN1; SMN2CNR1POLMPOLK

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
WO-2019188867-A1 NOVEL CATIONIC LIPID EXHIBITING IMPROVED INTRACELLULAR DYNAMICS 日油株式会社 2019-10-03 WO disclosed