SCHEMBL7315115

SCHEMBL7315115

CC1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ITGB3 P05106 11/20 0.52
ITGA2B P08514 11/20 0.52
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 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
SCHEMBL1312834 0.88 TSHR (0.52) TSHRITGB3ITGA2BKMT2AMAPK1
SCHEMBL25186006 0.88 ITGB3 (0.49) TSHRITGB3ITGA2BKMT2AMAPK1
SCHEMBL1311819 0.86 TSHR (0.51) TSHRITGB3ITGA2BKMT2AMAPK1
SCHEMBL23326163 0.85 ITGB3 (0.48) TSHRITGB3ITGA2BKMT2A
SCHEMBL23326162 0.85 ITGB3 (0.48) TSHRITGB3ITGA2BKMT2A
SCHEMBL16435347 0.82 TSHR (0.47) TSHRITGB3ITGA2BKMT2AMAPK1
SCHEMBL5891355 0.82 ITGB3 (0.47) TSHRITGB3ITGA2BKMT2AMAPK1
SCHEMBL1081816 0.81 CCR10 (0.52) TSHRITGB3ITGA2BKMT2AMAPK1
SCHEMBL6100302 0.80 PREP (0.53) TSHRITGB3ITGA2B
SCHEMBL6809187 0.78 ITGB3 (0.46) TSHRITGB3ITGA2BKMT2AMAPK1

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-5332822-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed