SCHEMBL9734571

SCHEMBL9734571

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRKCZ Q05513 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
THRB P10828 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
SHBG P04278 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MDH1 P40925 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
SCHEMBL9305093 0.80 MAPT (0.42) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9304721 0.79 ALDH1A1 (0.36) RAB9AKMT2AALDH1A1MAPTPOLB
SCHEMBL8972457 0.78 ALDH1A1 (0.40) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9306813 0.78 POLB (0.41) RAB9AKMT2APRKCZALDH1A1MAPT
SCHEMBL10888973 0.78 POLB (0.40) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9305523 0.78 LMNA (0.43) RAB9AKMT2AALDH1A1MAPTNPSR1
SCHEMBL9306461 0.77 PTGES (0.52) PTGESALOX5PPARGPPARA
SCHEMBL8972641 0.76 PPARA (0.48) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9305788 0.76 HSD17B10 (0.39) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8972330 0.75 KMT2A (0.52) RAB9AKMT2ASMN1; SMN2ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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