SCHEMBL7368909

SCHEMBL7368909

COC(=O)CCN1CCC(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
FAAH O00519 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38

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
SCHEMBL7360145 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EPKMFAAHMAPT
SCHEMBL8912276 0.87 GPR119 (0.40) ALDH1A1KDM4EPKMFAAHMAPT
SCHEMBL1207110 0.85 KDM4E (0.46) ALDH1A1KDM4EPKMFAAHEPHX1
SCHEMBL7365403 0.83 KDM4E (0.41) ALDH1A1KDM4EPKMFAAHGPR119
SCHEMBL25752708 0.81 HPGD (0.44) SMN1; SMN2ALDH1A1KDM4EPKMMAPT
SCHEMBL27007016 0.81 HPGD (0.48) ALDH1A1KDM4EPKMFAAHEPHX1
SCHEMBL5883993 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL7578721 0.80 TP53 (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL7367393 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL594491 0.80 KDM4E (0.51) SMN1; SMN2ALDH1A1KDM4EPKMFAAH

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
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US 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