SCHEMBL1756472

SCHEMBL1756472

CCC(O)CC(=O)Oc1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
PLA2G1B P04054 1/20 0.35
KMT2A Q03164 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL2679583 0.84 ELANE (0.47) MMP1MMP2MMP9MMP12NPC1
SCHEMBL1756467 0.84 RAB9A (0.44) MMP1MMP2MMP9MMP12NPC1
SCHEMBL1756479 0.84 RAB9A (0.44) MMP1MMP2MMP9MMP12NPC1
SCHEMBL525049 0.80 MMP1 (0.45) MMP1MMP2MMP9MMP12NPC1
SCHEMBL3421330 0.79 RAB9A (0.42) MMP1MMP2MMP9MMP12NPC1
SCHEMBL27588298 0.79 MMP1 (0.40) MMP1MMP2MMP9MMP12NPC1
Hydrochloric Acid SCHEMBL27610314 0.78 MMP1 (0.44) MMP1MMP2MMP9MMP12NPC1
SCHEMBL27711054 0.78 MMP1 (0.41) MMP1MMP2MMP9MMP12NPC1
SCHEMBL27603109 0.77 TRPM8 (0.47) MMP1MMP2MMP9MMP12NPC1
SCHEMBL8327418 0.77 KMT2A (0.47) MMP1MMP2MMP9MMP12NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591531-B1 PROCESS FOR ACYL-TRANSFER ENZYME REACTIONS WITH ACYL- COENZYME A SHOWA DENKO KK (JP) 2016-03-23 EP disclosed
US-7943351-B2 Method for acyltransferase reaction using acyl coenzyme A SHOWA DENKO K.K. (JP) 2011-05-17 US disclosed
US-20090111153-A1 METHOD FOR ACYLTRANSFERASE REACTION USING ACYL COENZYME A SHOWA DENKO K.K. 2009-04-30 US disclosed
US-7476521-B2 acyl group of acyl coenzyme A is transferred to an acyl group receptor characterized in that the reaction is carried out by production and/or reproduction of acyl coenzyme A from coenzyme A in a reaction system by a chemical thioester exchange reaction with acylthioester SHOWA DENKO K.K. (JP) 2009-01-13 US disclosed
US-20060148048-A1 acyl group of acyl coenzyme A is transferred to an acyl group receptor characterized in that the reaction is carried out by production and/or reproduction of acyl coenzyme A from coenzyme A in a reaction system by a chemical thioester exchange reaction with acylthioester SHOWA DENKO K.K. (JP) 2006-07-06 US disclosed
EP-1591531-A1 PROCESS FOR ACYL-TRANSFER ENZYME REACTIONS WITH ACYL- COENZYME A Showa Denko K.K. (JP) 2005-11-02 EP disclosed