SCHEMBL8639840

SCHEMBL8639840

COC(=O)[C@H](C)N(C(=O)C(CC(C)C)CP(=O)(CNC(=O)c1ccccc1)OC)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 3/20 0.39
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
CTSL P07711 3/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
HSD17B10 Q99714 1/20 0.37
F2 P00734 1/20 0.35
HTT P42858 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
SCHEMBL8752163 0.89 GPR88 (0.37) NPC1RAB9ASMN1; SMN2CTSBF10
SCHEMBL7600401 0.89 HSD17B10 (0.51) HSD17B10
Hydrochloric Acid SCHEMBL6926940 0.89 GPR88 (0.37) NPC1RAB9ASMN1; SMN2CTSBF10
SCHEMBL8641877 0.84 GPR88 (0.36) HSD17B10
SCHEMBL8641846 0.84 MMP3 (0.36) F10PRSS1HSD17B10F2
SCHEMBL8641490 0.82 HSD17B10 (0.45) NPC1RAB9ASMN1; SMN2CTSBCTSL
SCHEMBL8639837 0.81 GPR88 (0.37) CTSBF10PRSS1F2HTT
SCHEMBL7621710 0.81 GPR88 (0.39) NPC1RAB9ASMN1; SMN2CTSB
Hydrochloric Acid SCHEMBL6928254 0.81 GPR88 (0.38) NPC1RAB9ASMN1; SMN2CTSB
SCHEMBL7598817 0.79 HSD17B10 (0.44) HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766687-B1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed
US-5739123-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR TREATING CARDIOVASCULAR DISEASES ZAMBON GROUP S.P.A. (IT) 1998-04-14 US disclosed
EP-0766687-A1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-04-09 EP disclosed
WO-1995035302-A1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1995-12-28 WO disclosed