SCHEMBL28338902

SCHEMBL28338902

CCCCCCC(CC)CCS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.47
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
CA2 P00918 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
EPHX2 P34913 1/20 0.38
FAAH O00519 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28409630 1.00 TP53 (0.50) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL8813255 0.98 TP53 (0.52) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL28414215 0.92 TP53 (0.50) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL9342210 0.92 CA2 (0.50) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL27915805 0.92 LMNA (0.50) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL503545 0.90 LMNA (0.48) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL10784604 0.84 LMNA (0.50) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL21659085 0.84 LMNA (0.50) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL30544586 0.84 LMNA (0.42) TP53LMNAS1PR2S1PR1S1PR3
SCHEMBL29714065 0.84 CA2 (0.38) TP53LMNAS1PR2S1PR1S1PR3

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-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 CN disclosed