SCHEMBL9304101

SCHEMBL9304101

CC(C)(C)c1cccc2oc(C(CC(=O)S)C(=O)O)nc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11021985 0.84 CEPT1 (0.39) ALDH1A1KMT2A
SCHEMBL11020685 0.82 LMNA (0.36) ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL9304112 0.82 CTSA (0.33) ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL8973074 0.81 SOAT1 (0.36)
SCHEMBL9306222 0.81 DAGLA (0.43) ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL10892677 0.81 MTNR1A (0.38) ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL9733955 0.81 SMN1; SMN2 (0.32) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9304105 0.79
SCHEMBL9305328 0.79 TOP2A (0.40) ALDH1A1KMT2A
SCHEMBL9305134 0.77 NPSR1 (0.39) ALDH1A1KMT2ASMN1; SMN2

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-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