SCHEMBL9306209

SCHEMBL9306209

CCC(C(=O)O)C(CC)(Sc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.44
HSD17B10 Q99714 2/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL11022390 0.77 ALDH1A1 (0.53) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL9305404 0.74 SMN1; SMN2 (0.52) KMT2ARAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9305867 0.74 MAPT (0.50) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL10866300 0.74 KMT2A (0.47) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL11019401 0.73 RAB9A (0.49) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL8972656 0.73 RAB9A (0.51) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL9306265 0.73 ALDH1A1 (0.51) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL11021103 0.73 KMT2A (0.43) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL11018783 0.72 KMT2A (0.56) KMT2ARAB9ANPC1MEN1HPGD
SCHEMBL11020373 0.71 RAB9A (0.38) KMT2ARAB9ANPC1MEN1HPGD

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-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-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