SCHEMBL9050704

SCHEMBL9050704

Cc1cc(OC(=O)C(C)(NC(=O)OCc2ccccc2)C(C)(C)C)sc1CN1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRK1 P41145 4/20 0.37
FKBP1A P62942 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
HRH3 Q9Y5N1 5/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL9033382 0.72 CTSL (0.43) OPRK1ITGB3ITGA2B
SCHEMBL7448317 0.69 MEN1 (0.55) MEN1KMT2ANPC1RAB9A
SCHEMBL2188227 0.68 ITGB3 (0.47) MEN1KMT2AOPRK1FKBP1ANPC1
SCHEMBL2187323 0.67 ITGB3 (0.47) MEN1KMT2AOPRK1FKBP1ANPC1
SCHEMBL2186839 0.67 ITGB3 (0.47) MEN1KMT2AOPRK1FKBP1ANPC1
SCHEMBL16544833 0.67 KMT2A (0.57) MEN1KMT2ANPC1RAB9A
Iodide SCHEMBL2188411 0.65 ITGB3 (0.49) MEN1KMT2AOPRK1FKBP1ANPC1
SCHEMBL22729349 0.65 CYP3A4 (0.49) MEN1KMT2AOPRK1FKBP1ARAB9A
SCHEMBL4508484 0.64 MEN1 (0.57) MEN1KMT2ANPC1RAB9A
SCHEMBL4442846 0.64 KMT2A (0.60) MEN1KMT2ANPC1RAB9A

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
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed