SCHEMBL28338111

SCHEMBL28338111

CCOC(=O)C(CSC(=O)C(=O)O)NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.48
CTSL P07711 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.43
P2RY12 Q9H244 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2673046 0.89 CYP26A1 (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL10131060 0.87 CYP26A1 (0.51) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL12020054 0.84 CYP26A1 (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL29188972 0.83 CYP26A1 (0.54) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL12019140 0.83 CYP26A1 (0.47) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL3692412 0.83 RAB9A (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL7610226 0.83 RAB9A (0.48) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL27673425 0.81 CYP26A1 (0.53) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL26199837 0.81 CYP26A1 (0.53) CYP26A1CTSLSMN1; SMN2RAB9AGAA
SCHEMBL5020128 0.81 HDAC3 (0.51) CYP26A1CTSLSMN1; SMN2RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590626-A Process for preparing oxomercaptoacetic acids 中国科学技术大学 2019-12-20 CN disclosed