SCHEMBL6954036

SCHEMBL6954036

COC(=O)CC(NC(=O)OCc1ccccc1)C(=O)N(C)Cc1cc(C(=O)O)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
KYNU Q16719 1/20 0.42

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
SCHEMBL6954031 1.00 MEN1 (0.48) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL4026193 0.90 MEN1 (0.57) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL4026197 0.90 MEN1 (0.57) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL4023412 0.90 MEN1 (0.48) MEN1KMT2ALMNAALDH1A1CYP3A4
Dicyclohexylcarbodiimide SCHEMBL7331282 0.89 CTSL (0.43) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL4021266 0.88 MEN1 (0.49) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL8183267 0.87 CTSL (0.40) MEN1KMT2AALDH1A1CTSLCTSB
SCHEMBL8183264 0.87 CTSL (0.40) MEN1KMT2AALDH1A1CTSLCTSB
SCHEMBL4022442 0.85 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL4022774 0.85 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1CYP3A4

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-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed