SCHEMBL29418686

SCHEMBL29418686

CCC1(CC)OCC(C(=O)OCc2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.41
BACE1 P56817 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ELANE P08246 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL11617650 0.84 ALDH1A1 (0.49) ALDH1A1GAAPKMTSHRFABP7
SCHEMBL31047712 0.84 ALDH1A1 (0.49) ALDH1A1GAAPKMTSHRFABP7
SCHEMBL16648788 0.77 ALDH1A1 (0.52) ALDH1A1GAATSHRFABP7FABP5
SCHEMBL29433900 0.77 ALDH1A1 (0.52) ALDH1A1GAATSHRFABP7FABP5
SCHEMBL19749101 0.77 ALDH1A1 (0.52) ALDH1A1GAATSHRFABP7FABP5
SCHEMBL16837877 0.76 ALDH1A1 (0.46) ALDH1A1GAAPKMTSHRFABP7
Bicarbonate SCHEMBL29739771 0.75 ALDH1A1 (0.50) ALDH1A1GAATSHRFABP7FABP5
SCHEMBL23950204 0.72 ALDH1A1 (0.47) ALDH1A1GAAPKMTSHRBACE1
SCHEMBL9236592 0.72 ALDH1A1 (0.51) ALDH1A1GAAPKMTSHRFABP7
SCHEMBL717853 0.71 LMNA (0.45) TSHRBACE1

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
EP-4211125-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING A PSYCHIATRIC DISORDER Bio-Pharm Solutions Co., Ltd. (KR) 2023-07-19 EP disclosed
WO-2022054987-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING A PSYCHIATRIC DISORDER BIO-PHARM SOLUTIONS CO., LTD. (KR) 2022-03-17 WO disclosed