SCHEMBL7359289

SCHEMBL7359289

O=C(O)CN1CCC(CCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
ACHE P22303 3/20 0.38
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
BCHE P06276 2/20 0.36
TYMP P19971 2/20 0.36
AKR1C3 P42330 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35

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
SCHEMBL8608071 0.84 HSD17B10 (0.44) HSD17B10ACHEBCHEITGB3ITGA2B
SCHEMBL18173237 0.83 HSD17B10 (0.47) HSD17B10ITGB3ITGA2B
SCHEMBL31245833 0.81 GAA (0.52) HSD17B10
SCHEMBL24754066 0.79 MAPT (0.47) HSD17B10
SCHEMBL14970780 0.78 HSD17B10 (0.39) HSD17B10ITGB3ITGA2B
SCHEMBL6069474 0.78 PKM (0.47) ITGB3ITGA2B
SCHEMBL3865449 0.78 ACHE (0.35) ACHEMMP3MMP8TYMPAKR1C3
SCHEMBL14609561 0.78 HSD17B10 (0.45) HSD17B10ITGB3ITGA2B
SCHEMBL15210909 0.78 PLG (0.47) HSD17B10ITGB3ITGA2B
SCHEMBL6889226 0.78 HSD17B10 (0.45) HSD17B10

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
WO-2000059498-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed