SCHEMBL9305404

SCHEMBL9305404

CCC(C(=O)O)C(CC)(Sc1nc2ccccc2[nH]1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.44
TXN P10599 2/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
BCHE P06276 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
SCHEMBL11019188 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ALMNATXNRAB9A
SCHEMBL11021237 0.75 KMT2A (0.51) SMN1; SMN2KMT2ALMNATXNRAB9A
SCHEMBL9305867 0.74 MAPT (0.50) SMN1; SMN2KMT2ALMNARAB9ANPC1
SCHEMBL9306209 0.74 KMT2A (0.48) SMN1; SMN2KMT2ALMNARAB9ANPC1
SCHEMBL11018802 0.74 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ALMNATXNRAB9A
SCHEMBL11023488 0.74 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ALMNARAB9ANPC1
SCHEMBL11022302 0.74 SMN1; SMN2 (0.57) SMN1; SMN2KMT2ATXNRAB9ANPC1
SCHEMBL10872581 0.74 POLB (0.70) SMN1; SMN2KMT2ALMNATXNRAB9A
SCHEMBL8972733 0.73 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ATXNRAB9ANPC1
SCHEMBL10894164 0.73 KMT2A (0.55) SMN1; SMN2KMT2ALMNARAB9ANPC1

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
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-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