SCHEMBL8105577

SCHEMBL8105577

COc1ccccc1C1(c2ccccc2OC)CC(=O)CC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.36

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
SCHEMBL9326126 0.77 SIGMAR1 (0.55) KMT2ASIGMAR1CA12CA1CA2
SCHEMBL8106520 0.76 OPRM1 (0.41) KMT2AL3MBTL1ALDH1A1CYP3A4MAPT
SCHEMBL8124069 0.72 HTR2A (0.34) KMT2AMAPTMGLL
SCHEMBL8118617 0.72 TP53 (0.43) OPRM1OPRK1
SCHEMBL8105572 0.71 IDO1 (0.42) SIGMAR1L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL11662275 0.69 SIGMAR1 (0.47) KMT2ASIGMAR1CA12CA1CA2
SCHEMBL613068 0.69 SIGMAR1 (0.64) KMT2ASIGMAR1CHRM2CHRM4CHRM5
SCHEMBL4229836 0.67 SIRT1 (0.44) KMT2ACA12CA1CA2CA7
SCHEMBL19291033 0.67 SIGMAR1 (0.53) KMT2ASIGMAR1CA12CA1CA2
Ethylene SCHEMBL8402234 0.67 SIGMAR1 (0.60) KMT2ASIGMAR1CHRM2CHRM4CHRM5

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
US-6114546-A Aminomethylene derivatives and ultraviolet absorbent comprising thereof CHEMIPRO KASEI KAISHA, LIMITED (JP) 2000-09-05 US disclosed
EP-0950655-A1 AMINOMETHYLENE DERIVATIVES AND ULTRAVIOLET ABSORBER COMPRISING THE SAME CHEMIPRO KASEI KAISHA, LIMITED (JP) 1999-10-20 EP disclosed