SCHEMBL8105572

SCHEMBL8105572

COc1ccccc1CC1(Cc2ccccc2OC)CC(=O)CC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CHRM3 P20309 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 2/20 0.40
DAO P14920 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL8121145 0.73 IDO1 (0.41) IDO1TAAR1SIGMAR1USP2HSD17B10
SCHEMBL8105577 0.71 KMT2A (0.44) SIGMAR1CHRM2CHRM1CHRM3L3MBTL1
SCHEMBL31118134 0.71 TAAR1 (0.50) IDO1TAAR1SIGMAR1USP2CHRM2
SCHEMBL8115482 0.70 ALDH1A1 (0.48) IDO1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL11503832 0.70 HRH3 (0.42) IDO1TAAR1SIGMAR1USP2CHRM2
SCHEMBL11164628 0.70 ALDH1A1 (0.50) HTTPOLBL3MBTL1ALDH1A1CYP2D6
SCHEMBL1823891 0.69 IDO1 (0.52) IDO1TAAR1SIGMAR1USP2CHRM2
SCHEMBL11293430 0.69 HRH3 (0.41) IDO1TAAR1SIGMAR1USP2CHRM2
SCHEMBL17939 0.68 IDO1 (0.59) IDO1TAAR1SIGMAR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL25200956 0.68 IDO1 (0.53) IDO1TAAR1SIGMAR1USP2CHRM2

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