SCHEMBL9306655

SCHEMBL9306655

CCCCc1cc2oc(C(CC(=O)S)C(=O)O)nc2cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.34
EIF4A1 P60842 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 3/20 0.32
GAA P10253 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PTGES O14684 2/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
MAPT P10636 1/20 0.31
MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL9306662 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1EIF4A1KDM4E
SCHEMBL9306087 0.77 ALDH1A1 (0.42) ALDH1A1AGTR1AGTR2LMNAPOLB
SCHEMBL9305778 0.76 RAB9A (0.38) KMT2AALDH1A1KDM4EHPGDNPC1
SCHEMBL9305746 0.76 CASP3 (0.38) AGTR1AGTR2
SCHEMBL8972426 0.75 LMNA (0.46) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL9306799 0.74 PIK3CG (0.43) ALDH1A1RAB9ALMNAPOLBMAPT
SCHEMBL9303910 0.73 MEN1 (0.43) MEN1KMT2AALDH1A1EIF4A1KDM4E
SCHEMBL8972660 0.73 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9305082 0.72 MAPT (0.50) MEN1KMT2AALDH1A1KDM4ENPC1
SCHEMBL10866384 0.71 HSF1 (0.43) KMT2AALDH1A1NPC1RAB9AHSD17B10

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 3 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