SCHEMBL7063010

SCHEMBL7063010

C=C(C(=O)N1CCC(O)CC1)c1cc[c]c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.38
LIPE Q05469 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC4 P56524 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL7064158 0.81 KDM4E (0.36) MEN1ALDH1A1MAPTKMT2ACYP2D6
SCHEMBL7065196 0.80 NPC1 (0.32) NPC1RAB9A
SCHEMBL27577333 0.79 RBP4 (0.38) RBP4LIPETRPV1GRM5NPC1
SCHEMBL6921386 0.75 RAB9A (0.34) TRPV1GRM5NPC1RAB9A
SCHEMBL7065796 0.74 UGT8 (0.32) MEN1KMT2A
SCHEMBL7063009 0.73 ITGB2 (0.41)
SCHEMBL7619039 0.70 GRM5 (0.36) GRM5NPC1RAB9AMEN1ALDH1A1
SCHEMBL6919348 0.63 SMN1; SMN2 (0.40) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7646851 0.63 AKR1C3 (0.42) ALDH1A1HDAC4CYP2C19
SCHEMBL6921375 0.61 HPGD (0.34) NPC1RAB9AMEN1ALDH1A1KMT2A

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 claimed