SCHEMBL11329933

SCHEMBL11329933

O=CCC(NCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
ACE P12821 1/20 0.43
ACP3 P15309 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 1/20 0.42
FOLH1 Q04609 1/20 0.42
TLR2 O60603 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12671895 0.85 SMN1; SMN2 (0.57) GAAMAPTPOLBACP3SMN1; SMN2
SCHEMBL17078082 0.85 SMN1; SMN2 (0.57) GAAMAPTPOLBACP3SMN1; SMN2
SCHEMBL12671909 0.85 SMN1; SMN2 (0.57) GAAMAPTPOLBACP3SMN1; SMN2
Hydrochloric Acid SCHEMBL2528761 0.83 SMN1; SMN2 (0.55) GAAMAPTPOLBACP3SMN1; SMN2
SCHEMBL8705659 0.83 GGT1 (0.50) POLBACESMN1; SMN2ALDH1A1CYP2D6
SCHEMBL29924046 0.81 FOLH1 (0.47) GAAMAPTPOLBADH1BADH1C
SCHEMBL8903656 0.80 ALDH1A1 (0.34) ADH1BADH1CADH1AADH7ACP3
SCHEMBL11581853 0.80 MME (0.56) ALDH1A1FOLH1
SCHEMBL1190016 0.80 PDCD1 (0.53) GAAMAPTPOLBACP3ALDH1A1
SCHEMBL1190014 0.80 PDCD1 (0.53) GAAMAPTPOLBACP3ALDH1A1

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
CN-101889011-B Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3- carboxylic acid amides BOEHRINGER INGELHEIM INT 2014-05-28 CN disclosed
CN-101889011-A Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3- carboxylic acid amides BOEHRINGER INGELHEIM INT 2010-11-17 CN disclosed
US-4293543-A ALDEHYDES OR KETONES AND SULFOXYAMINO ACIDS SOCIETE NATIONALE ELF AQUITAINE (FR) 1981-10-06 US disclosed