SCHEMBL6563727

SCHEMBL6563727

NC1(CC(=O)O)NCCN1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.33
GRM1 Q13255 2/20 0.32
GRM2 Q14416 2/20 0.31
GRM5 P41594 1/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL7387755 0.67 CYP1A2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6595823 0.67 TSHR (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL9217314 0.65 CYP2C19 (0.30) CYP2C19
SCHEMBL4115624 0.65
SCHEMBL27922822 0.63
Hydrochloric Acid SCHEMBL16666607 0.63
Hydrochloric Acid SCHEMBL27941482 0.62 CYP2C19 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL31555446 0.62 CYP1A2 (0.52) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL289131 0.62 CYP1A2 (0.52) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL22777658 0.62 POLB (0.59) USP2ALDH1A1LMNACYP1A2TSHR

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-1198230-A4 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION ENERDERMICS INC (US) 2004-06-16 EP disclosed
EP-1198230-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION Avicena Group, Inc. (US) 2002-04-24 EP disclosed
WO-2001000203-A1 USE OF CREATINE OR CREATINE COMPOUNDS FOR SKIN PRESERVATION AVICENA GROUP, INC. (US) 2001-01-04 WO disclosed