SCHEMBL8892459

SCHEMBL8892459

CC(C)(C)OC(=O)NCc1ccc(N2CC(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.41
ITGB3 P05106 5/20 0.41
PRSS1 P07477 5/20 0.41
PRSS2 P07478 5/20 0.41
ITGA2B P08514 5/20 0.41
PRSS3 P35030 5/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 2/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
F2 P00734 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL8892614 0.90 HPGD (0.43) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7463621 0.88 NAMPT (0.38) F10ALDH1A1LMNAMEN1KMT2A
SCHEMBL8892115 0.86 NAMPT (0.37) F10ALDH1A1LMNAMEN1KMT2A
SCHEMBL7464219 0.83 SIGMAR1 (0.41) F10LMNAMEN1KMT2ANAMPT
Water SCHEMBL7461996 0.83 SIGMAR1 (0.41) F10LMNAMEN1KMT2ANAMPT
SCHEMBL7458570 0.83 NAMPT (0.43) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7462288 0.82 LMNA (0.40) LMNAMEN1KMT2ANAMPTTP53
SCHEMBL7456463 0.81 ITGB3 (0.49) F10ITGB3PRSS1PRSS2ITGA2B
Ether SCHEMBL7461990 0.80 SIGMAR1 (0.39) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8892340 0.80 MEN1 (0.42) ITGB3ITGA2BMEN1KMT2ANAMPT

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-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed