SCHEMBL7498461

SCHEMBL7498461

C[C@@H](NCC#Cc1ccccc1)[C@H](Cc1ccc(C(=O)Nc2ccccc2)o1)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
OGA O60502 1/20 0.42
FFAR1 O14842 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
PKM P14618 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL7493914 1.00 POLB (0.46) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7487231 1.00 POLB (0.46) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7496837 0.87 POLB (0.48) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7493231 0.86 RAB9A (0.48) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7489643 0.86 POLB (0.46) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7487064 0.85 POLB (0.46) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7484692 0.84 POLB (0.45) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7491239 0.84 POLB (0.45) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7491235 0.84 POLB (0.45) POLBOGAFFAR1SMN1; SMN2RAB9A
SCHEMBL7484687 0.84 POLB (0.45) POLBOGAFFAR1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989114-B1 N,N-DISUBSTITUTED AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-07-24 EP disclosed
EP-0989114-A1 N,N-DISUBSTITUTED AMIC ACID DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-29 EP disclosed
US-5981573-A INHIBIT PROTEIN-FARNESYL TRANSFERASE (PFT) IN VIVO THEREBY SUPPRESSING FUNCTION OF ONCOGENE PROTEIN RAS AND THUS PRESENTING ANTITUMOR ACTIVITIES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed