SCHEMBL11276741

SCHEMBL11276741

CCC(CCC(C#N)c1cccc(OC)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
PPARA Q07869 1/20 0.41
AKR1C1 Q04828 1/20 0.40
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL11263367 0.87 AKR1C3 (0.38) KMT2AAKR1C3AKR1C2PPARAAKR1C1
SCHEMBL21632014 0.80 KMT2A (0.61) KMT2AMTNR1AMTNR1BL3MBTL1FFAR1
SCHEMBL7410294 0.80 KMT2A (0.47) KMT2AMTNR1AMTNR1BL3MBTL1TAS1R3
SCHEMBL5181398 0.80 KMT2A (0.49) KMT2AMTNR1AMTNR1BL3MBTL1FFAR1
SCHEMBL29061992 0.80 KMT2A (0.49) KMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL7652207 0.80 KMT2A (0.49) KMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL11265862 0.79 L3MBTL1 (0.47) MTNR1AMTNR1BL3MBTL1AKR1C3AKR1C2
SCHEMBL5425808 0.76 L3MBTL1 (0.46) KMT2AMTNR1AMTNR1BL3MBTL1TAS1R3
SCHEMBL31326036 0.76 KMT2A (0.70) KMT2AMTNR1AMTNR1BL3MBTL1
SCHEMBL9230531 0.76 KMT2A (0.51) KMT2AMTNR1AMTNR1BL3MBTL1

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-0062019-A1 New phenyl-perhydroazepines Aktiebolaget Hässle (SE) 1982-10-06 EP disclosed