SCHEMBL8871638

SCHEMBL8871638

O=C(NCC(=O)N1[C@@H](c2ccccc2)CC[C@H]1c1ccccc1)Nc1ccc(CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PRMT3 O60678 2/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ KDM1A O60341 3/20 0.40
▸ RCOR1 Q9UKL0 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ PPID Q08752 1/20 0.39

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
SCHEMBL8871632 1.00 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MAPTPRMT3
SCHEMBL8871464 0.86 RORC (0.51) PRMT3PPID
SCHEMBL8871473 0.86 RORC (0.51) PRMT3PPID
SCHEMBL8869745 0.81 MME (0.50) PRMT3
SCHEMBL8870371 0.80 ALDH1A1 (0.60) ALDH1A1MAPK1L3MBTL1MAPTENPP2
SCHEMBL8870545 0.80 CCKBR (0.44) PRMT3
SCHEMBL8870550 0.80 CCKBR (0.44) PRMT3
SCHEMBL8870350 0.77 HPSE (0.47) PRMT3
SCHEMBL8870354 0.77 HPSE (0.47) PRMT3
SCHEMBL8870936 0.75 PKM (0.48) ALDH1A1MAPTPRMT3PPID

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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