SCHEMBL6158282

SCHEMBL6158282

CCOC(=O)CNCC(=O)c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PPID Q08752 2/20 0.43
ELANE P08246 1/20 0.43
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43
PPIG Q13427 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
PBRM1 Q86U86 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL13249005 0.85 KDM4E (0.50) ALDH1A1KMT2AKDM4EPPIDELANE
SCHEMBL6358354 0.82 KMT2A (0.55) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL8616315 0.82 SMN1; SMN2 (0.56) ALDH1A1MAPTKDM4EPPIDPPIB
SCHEMBL6158148 0.79 KMT2A (0.57) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6322759 0.79 PPID (0.50) ALDH1A1MAPTHPGDKMT2APPID
SCHEMBL29465556 0.76 LMNA (0.62) ALDH1A1KMT2AELANELMNANPC1
SCHEMBL133366 0.76 LMNA (0.62) ALDH1A1KMT2AELANELMNANPC1
SCHEMBL20839664 0.75 SYK (0.49) ALDH1A1MAPTKDM4EPPIDELANE
Methane SCHEMBL15286491 0.74 LMNA (0.61) ALDH1A1KMT2AELANELMNANPC1
Hydrochloric Acid SCHEMBL642777 0.74 LMNA (0.61) ELANELMNANPC1ADRB2ADRB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed