SCHEMBL18264641

SCHEMBL18264641

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 1/20 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
SCHEMBL7910108 0.78 HMGCR (0.33) CYP2C19PIK3CDHMGCRCHRM1TBXA2R
SCHEMBL10308344 0.78 KDM4E (0.33) CYP2C19PIK3CDHMGCRCHRM1TBXA2R
SCHEMBL7917694 0.76 PIK3CD (0.46) CYP2C19PIK3CDHMGCRCHRM1TBXA2R
SCHEMBL10269457 0.75 TSHR (0.35) CYP2C19
SCHEMBL10212341 0.74 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL22253948 0.74 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10212340 0.74 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL10212337 0.74 PIK3CD (0.31) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL17449479 0.74 PIK3CD (0.35) PIK3CDHMGCRCHRM1TBXA2RADRA1A
SCHEMBL18710802 0.73 HMGCR (0.37) CYP2C19HMGCRCHRM1TBXA2RADRA1A

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
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed