SCHEMBL377850

SCHEMBL377850

CC(C)(C)C(=O)CC(C)(C)C(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL1002901 0.78 TSHR (0.41) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL12595360 0.76 KMT2A (0.32) KMT2AHMGCRCHRM1TBXA2RADRA1A
SCHEMBL2905419 0.76 TSHR (0.42) KMT2AHMGCRCHRM1TBXA2RADRA1A
SCHEMBL13880069 0.76 ALDH1A1 (0.33) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1960027 0.76 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL23424122 0.71 HMGCR (0.36) KMT2AHMGCRCHRM1TBXA2RADRA1A
SCHEMBL12339113 0.71 TSHR (0.32) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL553054 0.71 HMGCR (0.36) KMT2AHMGCRCHRM1TBXA2RADRA1A
SCHEMBL28556249 0.70 TSHR (0.33)
SCHEMBL9719066 0.70

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409982-A2 Chemical processes generating solid(s) carried out continuously within microreactors Corning Incorporated (US) 2012-01-25 EP disclosed
US-7056909-B2 Alpha v integrin receptor antagonists MERCK & CO., INC. (US) 2006-06-06 US disclosed