SCHEMBL10874992

SCHEMBL10874992

c1nnnnc1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
CYP11B2 P19099 1/20 0.34
MIF P14174 1/20 0.34
CYP19A1 P11511 2/20 0.33
TDO2 P48775 2/20 0.33
KMO O15229 1/20 0.33
NOTUM Q6P988 2/20 0.33
HRH4 Q9H3N8 2/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ABL1 P00519 1/20 0.31
KMT2A Q03164 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL25318508 0.89
SCHEMBL28900091 0.72 CYP11B2 (0.37) L3MBTL1CYP11B2MIFCYP19A1KMO
SCHEMBL30573268 0.71 CYP11B2 (0.36) L3MBTL1CYP11B2MIFCYP19A1KMO
SCHEMBL28060980 0.70
SCHEMBL24087802 0.70 KMO (0.44) L3MBTL1CYP11B2MIFCYP19A1TDO2
SCHEMBL24087803 0.70 KMO (0.44) L3MBTL1CYP11B2MIFCYP19A1TDO2
SCHEMBL24087860 0.69 MIF (0.38) L3MBTL1CYP11B2MIFCYP19A1KMO
SCHEMBL20402747 0.69 HRH4 (0.47) L3MBTL1TDO2HRH4HRH3
SCHEMBL21133394 0.69 HRH4 (0.47) L3MBTL1TDO2HRH4HRH3
SCHEMBL20402756 0.69 L3MBTL1 (0.37) L3MBTL1CYP11B2HRH4ABL1

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
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed