SCHEMBL9305220

SCHEMBL9305220

O=C(O)CCCCC(Sc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ PPARA Q07869 11/20 0.53
▸ PPARG P37231 9/20 0.53
▸ PPARD Q03181 5/20 0.53
▸ ALOX15 P16050 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ APEX1 P27695 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL9179542 0.99 POLB (0.56) POLBHSD17B10SMN1; SMN2TSHRMAPK1
SCHEMBL9305131 0.96 POLB (0.59) POLBHSD17B10SMN1; SMN2TSHRMAPK1
SCHEMBL8972723 0.91 POLB (0.61) POLBHSD17B10SMN1; SMN2TSHRMAPK1
SCHEMBL14155854 0.88 PPARA (0.58) POLBHSD17B10SMN1; SMN2TSHRMAPK1
SCHEMBL7032997 0.87 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7035800 0.87 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7035735 0.87 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL14155839 0.87 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7034394 0.86 PPARA (0.62) HSD17B10TSHRMAPK1PPARAPPARG
SCHEMBL14155828 0.86 SMN1; SMN2 (0.58) POLBHSD17B10SMN1; SMN2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 — — US disclosed
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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 — — US disclosed
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 — — EP disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 — — EP disclosed
EP-0128862-B1 ANTI-CORROSIVE COATING COMPOSITION CIBA-GEIGY AG (CH) 1989-03-01 — — EP disclosed
EP-0183647-B1 ANTI-CORROSIVE AQUEOUS PAINTS CIBA-GEIGY AG (CH) 1989-02-15 — — EP disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 — — EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 — — EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 — — EP disclosed
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