SCHEMBL9834528

SCHEMBL9834528

O=C(NC1(Cc2ccccc2)CCOC1=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.46
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL3477103 0.84 ADRB2 (0.36) SMN1; SMN2ALDH1A1MAPTTSHRMEN1
SCHEMBL7619339 0.75 MAPK1 (0.37) ALDH1A1NPC1MAPTTSHRRAB9A
SCHEMBL8073977 0.75 CTSS (0.46) PPIACTSSCTSLCTSBSMN1; SMN2
SCHEMBL14743991 0.72 CTSL (0.52) CTSSCTSLCTSBSMN1; SMN2ATM
SCHEMBL8085796 0.71 PPIA (0.49) PPIACTSSCTSLCTSBCTSK
SCHEMBL2704426 0.71 CTSS (0.52) CTSSCTSLCTSBSMN1; SMN2ATM
SCHEMBL14743992 0.71 CTSL (0.54) CTSSCTSLCTSBSMN1; SMN2ALDH1A1
SCHEMBL143763 0.71 CTSS (0.57) CTSSCTSLCTSBSMN1; SMN2ATM
SCHEMBL584447 0.70 MEN1 (0.47) CTSSCTSLCTSBSMN1; SMN2ATM
SCHEMBL26833122 0.70 DDB1 (0.44) CTSSCTSLCTSBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299963-B1 RENIN INHIBITORS HAVING A LACTAM PSEUDO DIPEPTIDE THE UPJOHN COMPANY (US) 1991-05-15 EP disclosed
US-4705846-A Novel renin inhibiting peptides having a gamma lactam pseudo dipeptide insert THE UPJOHN COMPANY (US) 1987-11-10 US disclosed