SCHEMBL9147686

SCHEMBL9147686

C[C@H]1[C@H](O)CN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 4/20 0.63
LMNA P02545 3/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CYP1A2 P05177 1/20 0.62
TOP2A P11388 1/20 0.62
CYP2C9 P11712 1/20 0.62
TOP2B Q02880 1/20 0.62
MAPT P10636 1/20 0.62
PIK3CG P48736 7/20 0.51
PIK3CD O00329 5/20 0.51
PIK3R1 P27986 5/20 0.51
PIK3CA P42336 5/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL9145514 1.00 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9145492 1.00 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9145504 1.00 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9147664 1.00 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142846 0.89 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142820 0.89 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142804 0.89 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142836 0.89 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9144072 0.89 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9146319 0.87 KDM4E (0.64) KDM4EALDH1A1LMNAHPGDHSD17B10

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-5393758-A Bactericides, microbiocides LABORATORIOS DEL DR. ESTEVE S.A. (ES) 1995-02-28 US disclosed