SCHEMBL9306463

SCHEMBL9306463

O=C(O)CCCCC(Sc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
TSHR P16473 1/20 0.44
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MIF P14174 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SOAT1 P35610 1/20 0.42
FAAH O00519 1/20 0.42
CES1 P23141 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
SCHEMBL9303603 0.96 KMT2A (0.48) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL9306421 0.91 KMT2A (0.50) KMT2AMEN1RAB9ANPC1HPGD
Hydroxyamine SCHEMBL7072245 0.85 KMT2A (0.55) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL8972330 0.83 KMT2A (0.52) KMT2AMEN1RAB9ANPC1HPGD
Ammonia Solution, Strong SCHEMBL10889818 0.82 KMT2A (0.51) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL10895295 0.82 KMT2A (0.51) KMT2AMEN1RAB9ANPC1HPGD
Dimethylamine SCHEMBL10893052 0.79 ALDH1A1 (0.50) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL6270404 0.78 SOAT1 (0.59) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL9305001 0.77 KMT2A (0.56) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL10764766 0.77 MEN1 (0.60) KMT2AMEN1RAB9ANPC1HPGD

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