SCHEMBL9305802

SCHEMBL9305802

CC(C)(C)CC(C)(C)c1ccc2nc(C(CC(=O)O)C(O)=S)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
MAPT P10636 6/20 0.35
TP53 P04637 4/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PRKCZ Q05513 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SHBG P04278 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9305794 0.91 HDAC4 (0.33) HDAC4MAPTTP53LMNAPOLB
SCHEMBL9305789 0.83 MAPT (0.35) HDAC4MAPTTP53LMNAPOLB
SCHEMBL9304726 0.79 CTSA (0.38) HDAC4MAPTTP53LMNAPOLB
SCHEMBL9305528 0.78 RAB9A (0.44) MAPTTP53HDAC6
SCHEMBL9305097 0.78 MAPT (0.49) HDAC4MAPTTP53LMNAPOLB
SCHEMBL9306816 0.78 PIK3CG (0.42) HDAC4MAPTLMNAPOLB
SCHEMBL8972467 0.78 MAPT (0.40) HDAC4MAPTTP53LMNAPOLB
SCHEMBL10888980 0.77 MAPT (0.43) HDAC4MAPTTP53LMNAPOLB
SCHEMBL8972643 0.76 TP53 (0.53) MAPTTP53LMNAPOLB
SCHEMBL9306467 0.76 CSNK1D (0.38) PRKCZ

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