SCHEMBL8871087

SCHEMBL8871087

CC(C)(C)OC(=O)CSc1ccc(NC(=O)NCC(=O)N2[C@@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ CCKBR P32239 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ PRMT3 O60678 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PKM P14618 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ BCL2 P10415 1/20 0.35
▸ BECN1 Q14457 1/20 0.35
▸ PPID Q08752 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
SCHEMBL8871080 1.00 LMNA (0.39) LMNACCKBRALDH1A1PRMT3RAB9A
SCHEMBL8870937 0.86 PKM (0.48) LMNAALDH1A1PRMT3RAB9AMAPT
SCHEMBL8870936 0.86 PKM (0.48) LMNAALDH1A1PRMT3RAB9AMAPT
SCHEMBL8870526 0.80 GAA (0.48) LMNAALDH1A1RAB9AMAPTTSHR
SCHEMBL7577218 0.78 CCKAR (0.42) CCKBRPRMT3
SCHEMBL8870127 0.76 SIGMAR1 (0.50) ALDH1A1TSHR
SCHEMBL8870137 0.76 SIGMAR1 (0.50) ALDH1A1TSHR
SCHEMBL8871464 0.75 RORC (0.51) PRMT3RAB9APPID
SCHEMBL8871473 0.75 RORC (0.51) PRMT3RAB9APPID
SCHEMBL8871632 0.73 ALDH1A1 (0.46) ALDH1A1PRMT3MAPTPPID

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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