SCHEMBL11089360

SCHEMBL11089360

O=C1CCC(=O)N1CCOC(OCCN1C(=O)CCC1=O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
SLC6A1 P30531 1/20 0.35
MLNR O43193 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL11083563 0.95 CES1 (0.46) CES1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL11084175 0.86 CES1 (0.46) CES1SMN1; SMN2MLNRCHRM2CHRM1
SCHEMBL11091279 0.84 SMN1; SMN2 (0.58) CES1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL11084921 0.81 ALDH1A1 (0.44) CES1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL11293408 0.78 ALDH1A1 (0.51) CES1SMN1; SMN2ALDH1A1KMT2ASLC6A1
SCHEMBL2492255 0.78 KIF11 (0.49) ALDH1A1SLC6A1
SCHEMBL11293625 0.77 ALDH1A1 (0.57) CES1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11168382 0.77 HPGD (0.51) CES1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL11292012 0.76 ALDH1A1 (0.53) CES1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11082592 0.76 SMN1; SMN2 (0.52) CES1SMN1; SMN2RAB9AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4480094-A PHOTOINITIATOR TEIJIN LIMITED (JP) 1984-10-30 US disclosed
US-4400519-A PHOTOPOLYMERIZATION INITIATORS TEIJIN LIMITED (JP) 1983-08-23 US disclosed
US-4400519-A PHOTOPOLYMERIZATION INITIATORS TEIJIN LIMITED (JP) 1983-08-23 US disclosed