SCHEMBL9307681

SCHEMBL9307681

CC(C(=O)O)C(Sc1nc2c(-c3ccccc3)cccc2o1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHR2 Q13324 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
CMKLR1 Q99788 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL9305335 0.81 TOP2A (0.38) TOP2AALDH1A1POLBHPGDMEN1
SCHEMBL8972792 0.80 ALDH1A1 (0.51) ALDH1A1LMNAPOLBMAPTMAPK1
SCHEMBL10866405 0.78 TOP2A (0.41) TOP2AALDH1A1LMNAPPARGPPARA
SCHEMBL9305767 0.74 POLB (0.40) ALDH1A1LMNAPLA2G1BPOLBMAPT
SCHEMBL10052156 0.69 TOP2A (0.41) TOP2AALDH1A1POLBMAPTUSP2
SCHEMBL2960024 0.69 NR4A2 (0.49) TOP2AALDH1A1POLBMAPTUSP2
SCHEMBL9307413 0.68 KMT2A (0.50) ALDH1A1LMNAPOLBMAPTPPARG
SCHEMBL13469339 0.67 GAA (0.47) TOP2AALDH1A1POLBMAPTUSP2
SCHEMBL8973084 0.67 SOAT1 (0.37)
SCHEMBL9305328 0.66 TOP2A (0.40) TOP2AALDH1A1LMNAMAPTMAPK1

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 5 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
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed