SCHEMBL9306895

SCHEMBL9306895

N#Cc1ccc2oc(C(CC(=O)O)C(O)=S)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.41
HDAC6 Q9UBN7 1/20 0.39
KMO O15229 1/20 0.39
CEPT1 Q9Y6K0 1/20 0.37
PTGES O14684 1/20 0.36
PIN1 Q13526 1/20 0.35

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
SCHEMBL9306885 0.90 CETP (0.39) CETPHDAC6CEPT1
SCHEMBL9306880 0.81 CETP (0.44) CETPHDAC6CEPT1PTGES
SCHEMBL8972448 0.81 LMNA (0.48)
SCHEMBL8972672 0.81 SMN1; SMN2 (0.49)
SCHEMBL8973151 0.81 RAB9A (0.42) HDAC6
SCHEMBL9305352 0.79 RAB9A (0.41) HDAC6
SCHEMBL9305602 0.78 GAA (0.44)
SCHEMBL10892271 0.78 RAB9A (0.49) HDAC6
SCHEMBL8972338 0.78 HDAC3 (0.46) HDAC6
SCHEMBL9305796 0.77 RAB9A (0.38)

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