SCHEMBL8313233

SCHEMBL8313233

CC(NCc1ccccc1)C(=O)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
CYP19A1 P11511 1/20 0.46
EPHX1 P07099 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
ANPEP P15144 2/20 0.44
LTA4H P09960 1/20 0.44
LAP3 P28838 1/20 0.44
NPEPPS P55786 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL8313235 1.00 F2 (0.49) F2PRSS1CYP19A1EPHX1HPGD
SCHEMBL3346269 0.85 PDK1 (0.42) F2PRSS1CYP19A1MMP2MMP9
SCHEMBL13424296 0.84 CYP19A1 (0.41) F2PRSS1CYP19A1MMP2MMP9
SCHEMBL3344769 0.82 ACACB (0.41) CYP19A1
SCHEMBL19590161 0.82 MEN1 (0.45) CYP19A1EPHX1MMP2MMP9ANPEP
SCHEMBL1147395 0.82 EPHX1 (0.44) F2PRSS1CYP19A1EPHX1
SCHEMBL13424284 0.81 MEP1B (0.38) F2PRSS1CYP19A1
SCHEMBL28855000 0.81 CYP1A2 (0.55) LMNACYP1A2
SCHEMBL26276986 0.81 CYP1A2 (0.55) LMNACYP1A2
SCHEMBL607313 0.81 CYP1A2 (0.55) LMNACYP1A2

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-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed