SCHEMBL21698571

SCHEMBL21698571

C=C(CC)c1cc(C)c(C(C)C)c(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.34
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL20156475 0.74 VNN1 (0.40)
SCHEMBL21584420 0.72
SCHEMBL26461621 0.71 ALDH1A1 (0.38) AKR1B1
SCHEMBL18310662 0.68 TSHR (0.33) AKR1B1
SCHEMBL18310661 0.68 ALDH1A1 (0.34) AKR1B1LDHALDHB
SCHEMBL21584425 0.67 KDM4E (0.30)
SCHEMBL23370244 0.67 L3MBTL1 (0.33)
SCHEMBL2668023 0.67 VNN1 (0.39)
SCHEMBL20156488 0.66 L3MBTL1 (0.36)
SCHEMBL24407384 0.65 KDM5A (0.37) AKR1B1

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-3608308-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2020-02-12 EP disclosed