SCHEMBL7064587

SCHEMBL7064587

C=C(C(=O)N1CC=CCC1)c1ccc(Sc2ccc(C(=C)C(=O)N3CC=CCC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
AKR1C3 P42330 1/20 0.33
DPP7 Q9UHL4 4/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
MGLL Q99685 4/20 0.31
CHRNA7 P36544 1/20 0.30

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
SCHEMBL6919304 0.71 ALDH1A1 (0.40) LMNANPC1RAB9ATDP1HPGD
SCHEMBL6817904 0.69 NPC1 (0.32) LMNANPC1RAB9ATDP1HPGD
SCHEMBL6919428 0.66 NPC1 (0.39) LMNANPC1RAB9ATDP1HPGD
SCHEMBL7650689 0.66 HPGD (0.52) LMNANPC1RAB9AHPGDL3MBTL1
SCHEMBL6817908 0.65 NPC1 (0.33) LMNANPC1RAB9ATDP1HPGD
SCHEMBL10730079 0.65 ALDH1A1 (0.46) LMNANPC1RAB9ATDP1HPGD
SCHEMBL14220734 0.64 ALDH1A1 (0.61) LMNARAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL771475 0.64
SCHEMBL8560209 0.63 DPP7 (0.40) LMNANPC1RAB9ATDP1HPGD
SCHEMBL28353718 0.63 DPP7 (0.46) LMNANPC1RAB9ATDP1HPGD

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-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed