SCHEMBL9811034

SCHEMBL9811034

CCC(C(=O)O)C(C)Sc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
MAPT P10636 1/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 4/20 0.51
HSD17B10 Q99714 3/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
PPARA Q07869 6/20 0.49
FBP1 P09467 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL9305957 0.90 HSD17B10 (0.54) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL9811152 0.85 POLB (0.46) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL9443129 0.84 POLB (0.59) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL717957 0.83 LMNA (0.63) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL9811169 0.82 MAPT (0.58) POLBMAPTALDH1A1HPGDHSD17B10
SCHEMBL718296 0.81 PPARA (0.67) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL11037389 0.79 POLB (0.49) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL9811149 0.79 PPARA (0.48) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL8972389 0.78 HSD17B10 (0.51) POLBMAPTALDH1A1HPGDLMNA
SCHEMBL9443126 0.78 ALDH1A1 (0.54) POLBMAPTALDH1A1HPGDLMNA

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