SCHEMBL9307545

SCHEMBL9307545

O=C(O)CC(Sc1nc2c(-c3ccccc3)cccc2s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LIPG Q9Y5X9 3/20 0.39
PPARA Q07869 7/20 0.38
RET P07949 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
PPARG P37231 4/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 2/20 0.35
CNR2 P34972 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL8972777 0.83 GAA (0.44) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL8972086 0.81 POLB (0.42) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL9305767 0.81 POLB (0.40) POLBALDH1A1LIPGPPARARET
SCHEMBL10644074 0.80 LIPG (0.44) POLBALDH1A1KDM4ELIPGPPARA
SCHEMBL402778 0.80 ALDH1A1 (0.57) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL9443105 0.79 PPARA (0.46) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL10893548 0.79 ALDH1A1 (0.56) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL10895810 0.79 ALDH1A1 (0.56) POLBALDH1A1KDM4EAPOBEC3GTDP1
Ammonia Solution, Strong SCHEMBL7033477 0.79 ALDH1A1 (0.56) POLBALDH1A1KDM4EAPOBEC3GTDP1
SCHEMBL28421418 0.79 ALDH1A1 (0.56) POLBALDH1A1KDM4EAPOBEC3GTDP1

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 6 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-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed