SCHEMBL9811224

SCHEMBL9811224

CCC(C)(CSc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
POLB P06746 2/20 0.57
RECQL P46063 2/20 0.57
APEX1 P27695 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ATM Q13315 1/20 0.56
ALOX5 P09917 5/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52

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
SCHEMBL31471120 0.81 CYP1A2 (0.58) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL18026712 0.79 CYP1A2 (0.67) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL9811038 0.78 MAPT (0.53) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL5635538 0.78 CYP1A2 (0.65) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL28565001 0.77 MAPT (0.55) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL9811195 0.76 MAPT (0.50) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL18797537 0.76 SMN1; SMN2 (0.64) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL678562 0.76 MAPT (0.72) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL9811145 0.75 MAPT (0.59) MAPTPOLBRECQLAPEX1SMN1; SMN2
SCHEMBL6576658 0.75 PPARA (0.67) MAPTPOLBRECQLAPEX1SMN1; 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-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed