SCHEMBL9306265

SCHEMBL9306265

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 8/20 0.49
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 5/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
MIF P14174 1/20 0.47
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL9307413 0.88 KMT2A (0.50) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL10866052 0.87 KMT2A (0.49) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL8971845 0.87 KMT2A (0.49) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL9304671 0.86 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL8972792 0.83 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL10645062 0.81 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL9305001 0.79 KMT2A (0.56) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL8972330 0.77 KMT2A (0.52) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL10866367 0.77 ALDH1A1 (0.46) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL10895295 0.76 KMT2A (0.51) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1

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 7 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-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 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