SCHEMBL12018348

SCHEMBL12018348

C=C(C)C(=O)N1CCN(C(=O)C(=O)c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.44
CHRM1 P11229 1/20 0.44
BLM P54132 1/20 0.42
PHGDH O43175 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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
SCHEMBL12018338 0.87 CES2 (0.56) CES2CES1MAPTHPGDCHRM1
SCHEMBL8566690 0.82 HPGD (0.62) MAPTHPGDCHRM1KMT2APOLB
SCHEMBL12489727 0.80 HPGD (0.62) CES2CES1LMNAHPGDMEN1
SCHEMBL12018334 0.79 KMT2A (0.53) CES2CES1MAPTHPGDCHRM1
SCHEMBL3184169 0.79 MEN1 (0.63) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL5564719 0.78 HPGD (0.66) LMNAHPGDMEN1KMT2AUSP2
SCHEMBL8382619 0.78 CYP2C19 (0.51) CES2CES1MAPTSMN1; SMN2HPGD
SCHEMBL28919752 0.77 MAPT (0.63) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL269621 0.77 TDP1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL236549 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
EP-1836002-B1 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS BASF SE (DE) 2012-08-29 EP disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed