SCHEMBL1756479

SCHEMBL1756479

C[C@@H](O)CC(=O)Oc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
ALOX5 P09917 1/20 0.37
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1756467 1.00 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3421330 0.85 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2679583 0.84 ELANE (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL1756472 0.84 MMP1 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27588298 0.82 MMP1 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL6715200 0.81 BCHE (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3910846 0.80 MMP1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27603109 0.80 TRPM8 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2MMP1
SCHEMBL525049 0.79 MMP1 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4097244 0.78 MMP1 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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