SCHEMBL9066367

SCHEMBL9066367

C[C@]12C[C@H](N)[C@@H]1CN(c1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.55
OPRM1 P35372 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
OPRD1 P41143 1/20 0.55
KCNH2 Q12809 6/20 0.55
TOP2A P11388 6/20 0.51
TOP2B Q02880 6/20 0.51
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL9066369 1.00 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7840089 1.00 ALDH1A1 (0.55) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7841152 0.92 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7850381 0.92 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7850379 0.92 ALDH1A1 (0.67) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9067754 0.92 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7840310 0.92 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9067755 0.92 ALDH1A1 (0.59) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7850090 0.91 KCNH2 (0.64) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9066876 0.91 KCNH2 (0.64) 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-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US claimed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed