SCHEMBL9734115

SCHEMBL9734115

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(N3CCC(O)C3)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
POLB P06746 3/20 0.64
OPRM1 P35372 2/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
OPRD1 P41143 1/20 0.64
KCNH2 Q12809 6/20 0.52
ADRB2 P07550 1/20 0.51
KDM4E B2RXH2 5/20 0.49
HPGD P15428 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9734119 1.00 ALDH1A1 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9736569 0.93 ALDH1A1 (0.62) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9736568 0.93 ALDH1A1 (0.62) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10643880 0.88 ALDH1A1 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10920186 0.88 ALDH1A1 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10648564 0.88 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL10527992 0.88 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9734430 0.87 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9734428 0.87 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9735118 0.87 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1

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-5153204-A Bactericides, animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed
US-4820716-A ANIMAL GROWTH REGULATORS, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed