SCHEMBL11544729

SCHEMBL11544729

C=CCNC(=O)C1CN(C)c2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
ALOX5 P09917 1/20 0.46
HPGD P15428 4/20 0.43
POLB P06746 1/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SIRT1 Q96EB6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL24496705 0.80 HDAC4 (0.45) RAB9AHTTNPC1HPGDPOLB
SCHEMBL29586755 0.80 HDAC4 (0.45) RAB9AHTTNPC1HPGDPOLB
SCHEMBL4651767 0.79 RAB9A (0.71) KMT2ARAB9ALMNAHTTMEN1
SCHEMBL1689630 0.77 KMT2A (0.55) KMT2AMEN1HPGDALDH1A1SIRT1
SCHEMBL11496018 0.76 HDAC3 (0.56) KMT2ARAB9ALMNAHTTMEN1
SCHEMBL2685855 0.75 SIRT1 (0.58) SIRT1
SCHEMBL925260 0.75 SIRT1 (0.48) KMT2ARAB9AHTTNPC1HPGD
SCHEMBL31566197 0.75 SIRT1 (0.58) SIRT1
SCHEMBL11530821 0.74 LMNA (0.47) KMT2ARAB9ALMNAHTTMEN1
SCHEMBL2616331 0.74 ALDH1A1 (0.44) RAB9AHTTNPC1HPGDPOLB

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-4164576-A LIPOGENESIS INHIBITORS IN MAMMALS SHELL OIL COMPANY (US) 1979-08-14 US disclosed