SCHEMBL19783673

SCHEMBL19783673

O=C(O)CCCCCn1ccc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.72
CCND1 P24385 4/20 0.72
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.60
TERT O14746 2/20 0.60
FABP4 P15090 1/20 0.54
FABP5 Q01469 1/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
MAPK1 P28482 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL30582936 1.00 CDK4 (0.72) CDK4CCND1KMT2ALMNATERT
SCHEMBL1269116 0.98 CDK4 (0.71) CDK4CCND1KMT2ALMNATERT
SCHEMBL29560163 0.94 CDK4 (0.68) CDK4CCND1KMT2ALMNATERT
SCHEMBL1967792 0.94 CDK4 (0.68) CDK4CCND1KMT2ALMNATERT
SCHEMBL29684637 0.87 LMNA (0.73) CDK4CCND1KMT2ALMNATERT
SCHEMBL526317 0.87 LMNA (0.73) CDK4CCND1KMT2ALMNATERT
SCHEMBL6154591 0.84 CDK4 (0.66) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL6155367 0.84 CDK4 (0.66) CDK4CCND1LMNAMAPK1MTNR1A
SCHEMBL24398975 0.80 CDK4 (0.82) CDK4CCND1KMT2ALMNADRD2
SCHEMBL1293253 0.80 CDK4 (0.82) CDK4CCND1KMT2ALMNADRD2

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
WO-2018010932-A1 CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2018-01-18 WO disclosed