SCHEMBL6913722

SCHEMBL6913722

C=C(C(=O)NCCCN1CCCC1=O)c1cc[c]c(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 4/20 0.50
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7064971 0.81 RAB9A (0.47) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL6913718 0.79 ITGB2 (0.56) RAB9ANPC1RXFP1KMT2AMEN1
SCHEMBL6199687 0.73 ITGB2 (0.67) RAB9ANPC1RXFP1KMT2AL3MBTL1
SCHEMBL5830523 0.70 ITGB2 (0.65) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL425351 0.69 SMN1; SMN2 (0.57) RAB9ANPC1KMT2AMEN1L3MBTL1
SCHEMBL11479783 0.69 KMT2A (0.67) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL3033526 0.69 SMN1; SMN2 (0.66) KMT2AMEN1CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL19146541 0.68 RAB9A (0.56) RAB9ANPC1KMT2AMEN1L3MBTL1
SCHEMBL5656878 0.68 RAB9A (0.61) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4160352 0.67 MAPK1 (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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