SCHEMBL28337160

SCHEMBL28337160

O=CCCCCc1ccc2c(n1)N(C(=O)O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 17/20 0.38
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21314546 0.96 FGFR4 (0.38) FGFR4ITGB3ITGAVMEN1TSHR
SCHEMBL23527756 0.93 FGFR4 (0.36) FGFR4ITGB3ITGAV
SCHEMBL20141262 0.91 FGFR4 (0.39) FGFR4MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL5649956 0.88 FGFR4 (0.37) FGFR4MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL20517697 0.87 NOTUM (0.41) FGFR4
SCHEMBL21328960 0.86 ITGAV (0.37) FGFR4ITGB3ITGAVMEN1TSHR
SCHEMBL28337154 0.85 ITGAV (0.36) FGFR4ITGB3ITGAV
SCHEMBL28311247 0.85 FGFR4 (0.35) FGFR4ITGB3ITGAVMEN1TSHR
SCHEMBL20025188 0.84 MPO (0.37) FGFR4ITGAV
SCHEMBL31076000 0.84 MPO (0.37) FGFR4ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283977-A Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-06-23 CN disclosed
CN-110573499-B Inhibitors of αvβ6 integrin 莫菲克医疗股份有限公司 2023-04-21 CN disclosed
CN-113354635-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2021-09-07 CN disclosed
CN-110573499-A inhibitors of α v β 6 integrin 莫菲克医疗股份有限公司 2019-12-13 CN disclosed