SCHEMBL6817908

SCHEMBL6817908

C=C(C(=O)N1CC=CCC1)c1ccc(S)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 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
SCHEMBL6817904 0.85 NPC1 (0.32) NPC1LMNARAB9ATDP1HPGD
SCHEMBL7065196 0.80 NPC1 (0.32) NPC1LMNARAB9ATDP1HPGD
SCHEMBL7646851 0.80 AKR1C3 (0.42) LMNAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL27577333 0.79 RBP4 (0.38) NPC1RAB9AALDH1A1
SCHEMBL7612097 0.76 KDM4E (0.38) HPGDTSHRKDM4EALDH1A1
SCHEMBL6817160 0.72 KDM4E (0.32) HPGDKDM4EALDH1A1
SCHEMBL6311376 0.70 ITGB2 (0.40)
SCHEMBL6311938 0.69 ITGB2 (0.40)
SCHEMBL6919428 0.66 NPC1 (0.39) NPC1LMNARAB9ATDP1HPGD
SCHEMBL7064587 0.65 LMNA (0.38) NPC1LMNARAB9ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN claimed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed