SCHEMBL9302597

SCHEMBL9302597

C=C(C)COCCNC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
MAPT P10636 4/20 0.62
MAOB P27338 3/20 0.62
ATM Q13315 3/20 0.62
USP2 O75604 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 3/20 0.59
HPGD P15428 2/20 0.59
SLC16A3 O15427 1/20 0.59
ALOX15 P16050 1/20 0.59
SLC16A1 P53985 1/20 0.59
GBA1 P04062 1/20 0.57
NPC1 O15118 1/20 0.55
STAT3 P40763 1/20 0.55
STAT1 P42224 1/20 0.55

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
SCHEMBL3174736 0.90 KMT2A (0.65) KMT2AMEN1MAPTMAOBATM
SCHEMBL13524273 0.89 ALDH1A1 (0.63) KMT2AMEN1MAPTMAOBATM
SCHEMBL15298984 0.88 MAOB (0.63) KMT2AMEN1MAPTMAOBATM
SCHEMBL13248271 0.88 KMT2A (0.61) KMT2AMEN1MAPTMAOBATM
SCHEMBL9302603 0.87 KMT2A (0.61) KMT2AMEN1MAPTMAOBATM
SCHEMBL13248269 0.87 KMT2A (0.60) KMT2AMEN1MAPTMAOBATM
SCHEMBL14948237 0.86 KMT2A (0.59) KMT2AMEN1MAPTMAOBATM
SCHEMBL13248272 0.86 ALDH1A1 (0.62) KMT2AMEN1MAPTMAOBATM
SCHEMBL14820431 0.85 KMT2A (0.67) KMT2AMEN1MAPTMAOBATM
SCHEMBL13403918 0.84 KMT2A (0.71) KMT2AMEN1MAPTMAOBATM

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-5286803-A Coumarin dyes and side-chain coumarin dye-substituted polymers which exhibit nonlinear optical properties THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-02-15 US disclosed