SCHEMBL29216372

SCHEMBL29216372

CCCCCCCCC(C)(CN)S(=O)(=O)O.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.43
SMPD1 P17405 4/20 0.43
GGPS1 O95749 6/20 0.37
TP53 P04637 1/20 0.36
S1PR1 P21453 1/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL28247105 1.00 FDPS (0.43) FDPSSMPD1GGPS1TP53S1PR1
SCHEMBL4119469 1.00 FDPS (0.43) FDPSSMPD1GGPS1TP53S1PR1
SCHEMBL27873186 1.00 FDPS (0.43) FDPSSMPD1GGPS1TP53S1PR1
SCHEMBL27470819 0.98 FDPS (0.41) FDPSSMPD1GGPS1TP53S1PR1
SCHEMBL20495913 0.98 FDPS (0.44) FDPSSMPD1GGPS1TP53CES2
SCHEMBL28532957 0.98 FDPS (0.44) FDPSSMPD1GGPS1TP53CES2
SCHEMBL27977740 0.98 FDPS (0.44) FDPSSMPD1GGPS1TP53CES2
SCHEMBL27883803 0.96 FDPS (0.43) FDPSSMPD1GGPS1TP53S1PR1
SCHEMBL971409 0.96 FDPS (0.42) FDPSSMPD1GGPS1TP53S1PR1
SCHEMBL27963473 0.94 FDPS (0.41) FDPSSMPD1GGPS1TP53S1PR1

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
CN-117794661-A Additive for sand mold molding, composition for sand mold molding, method for producing sand mold, and sand mold 新东工业株式会社 2024-03-29 CN disclosed