SCHEMBL9258893

SCHEMBL9258893

CC(C)(C)CCc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.55
TOP2B Q02880 7/20 0.55
KCNH2 Q12809 5/20 0.50
GSK3B P49841 1/20 0.49
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.48
OPRM1 P35372 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRD1 P41143 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL9283475 0.87 ADRB2 (0.56) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL6645463 0.86 TOP2A (0.60) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL9264378 0.85 KDM4E (0.55) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL3400695 0.85 TOP2A (0.61) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL29463823 0.81 TOP2A (0.71) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL500719 0.81 TOP2A (0.71) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL13585809 0.80 TOP2A (0.58) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL13581382 0.80 KCNH2 (0.55) TOP2ATOP2BKCNH2GSK3BALDH1A1
SCHEMBL3136282 0.80 TOP2A (0.66) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10511115 0.80 TOP2A (0.69) TOP2ATOP2BKCNH2GSK3BALDH1A1

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-5468742-A Antibacterial agents, feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed