SCHEMBL8772026

SCHEMBL8772026

CC(C)[C@@H](C(N)=O)N(C(=O)Oc1ccccc1)C(C)CSc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPY5R Q15761 1/20 0.35
EGFR P00533 1/20 0.34
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL8771901 0.78 MMP2 (0.45) MTNR1AMTNR1BMAOBMAPTALDH1A1
SCHEMBL8771750 0.77 EPHX1 (0.44) MTNR1AMTNR1BMAOBALDH1A1LMNA
SCHEMBL8771829 0.77 PSMB5 (0.40) MAOBMEN1ALDH1A1KMT2A
SCHEMBL8771892 0.76 MAPT (0.33) TDP1L3MBTL1NPC1RAB9AMAPT
SCHEMBL8771937 0.75 TDP1 (0.38) ATMTDP1L3MBTL1NPY5RBCHE
SCHEMBL8771818 0.75 LIPE (0.47) L3MBTL1HTTRAB9ALMNA
SCHEMBL8061008 0.73 ALOX5 (0.47) ATMTDP1L3MBTL1TSHRHSD17B10
SCHEMBL29025476 0.69 ATM (0.55) ATMTDP1L3MBTL1NPY5RBCHE
SCHEMBL8771767 0.68 MMP2 (0.44) MAOBMAPTALDH1A1
SCHEMBL8772029 0.66 MTNR1A (0.56) MTNR1AMTNR1BL3MBTL1TSHRHTT

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed