SCHEMBL9813232

SCHEMBL9813232

CCOC(=O)OCC(OC(=O)O)C(CSc1nc2ccccc2s1)OC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX5 P09917 4/20 0.43
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
APEX1 P27695 2/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 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
SCHEMBL9174275 0.86 ALDH1A1 (0.55) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL9811205 0.81 ALDH1A1 (0.53) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL9811018 0.79 ALDH1A1 (0.55) ALDH1A1HPGDMAPTSMN1; SMN2ALOX5
SCHEMBL10597158 0.78 ALDH1A1 (0.47) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL9811102 0.76 ALDH1A1 (0.47) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL11111617 0.75 ALDH1A1 (0.64) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL9175427 0.74 SMN1; SMN2 (0.56) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL9811218 0.74 ALDH1A1 (0.59) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL10358654 0.73 ALDH1A1 (0.48) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL10763608 0.72 ALDH1A1 (0.54) ALDH1A1HPGDMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161220-B1 PROCESS FOR THE PREPARATION OF BETA-(BENZOTHIAZOLYLTHIO) AND BETA (BENZIMIDAZOLYLTHIO)CARBOXYLIC-ACID DERIVATIVES CIBA-GEIGY AG (CH) 1991-08-14 EP disclosed
EP-0161220-A2 Process for the preparation of beta-(benzothiazolylthio) and beta (benzimidazolylthio)carboxylic-acid derivatives CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed