SCHEMBL8329646

SCHEMBL8329646

CCCCOC(=O)NC(C=O)C(C)CC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 7/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8329649 1.00 CTSK (0.43) CTSKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9541732 0.87 CTSK (0.45) CTSKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8364058 0.87 CTSK (0.45) CTSKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9540332 0.80 CTSK (0.47) CTSKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8491330 0.80 CTSK (0.47) CTSKNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5703708 0.80 CTSK (0.57) CTSKHPGDEPHX1ATMACHE
SCHEMBL30314267 0.80 CTSK (0.57) CTSKHPGDEPHX1ATMACHE
SCHEMBL12066889 0.80 CTSK (0.36) CTSKSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL30686731 0.80 CTSK (0.36) CTSKSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12066863 0.80 CTSK (0.36) CTSKSMN1; SMN2L3MBTL1ALDH1A1

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-0783318-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-10-20 EP disclosed
EP-0783318-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996009836-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed