SCHEMBL9443129

SCHEMBL9443129

CC(Sc1nc2ccccc2s1)C(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
PPARA Q07869 9/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 3/20 0.51
ALOX15 P16050 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADRA2A P08913 1/20 0.50
FBP1 P09467 1/20 0.50
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL8972732 0.87 POLB (0.58) POLBPPARALMNAMAPTALDH1A1
SCHEMBL718296 0.85 PPARA (0.67) POLBPPARALMNAMAPTALDH1A1
SCHEMBL9811034 0.84 POLB (0.55) POLBPPARALMNAMAPTALDH1A1
SCHEMBL9306312 0.82 POLB (0.56) POLBPPARALMNAMAPTALDH1A1
SCHEMBL22292430 0.82 ALDH1A1 (0.59) POLBLMNAMAPTALDH1A1HPGD
SCHEMBL11352115 0.81 POLB (0.55) POLBPPARALMNAMAPTALDH1A1
SCHEMBL9304684 0.80 POLB (0.53) POLBPPARALMNAMAPTALDH1A1
SCHEMBL717957 0.79 LMNA (0.63) POLBPPARALMNAMAPTALDH1A1
SCHEMBL9443133 0.79 POLB (0.58) POLBLMNAMAPTALDH1A1HPGD
SCHEMBL7322651 0.78 PPARA (0.72) POLBPPARALMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed