SCHEMBL28339296

SCHEMBL28339296

CCCCCCCCCCCCCCCC(=O)C(CN(C)CCO)C(=O)O.COS(=O)(=O)O

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KDM5A P29375 1/20 0.34
GGPS1 O95749 3/20 0.34
DNM1 Q05193 1/20 0.34
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.34

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
SCHEMBL28334151 0.95 CES2 (0.37) CES2THRATHRBKDM5AGGPS1
SCHEMBL5940755 0.95 CES2 (0.37) CES2THRATHRBKDM5AGGPS1
SCHEMBL28405188 0.88 CNR1 (0.45) POLB
Sulfuric Acid SCHEMBL28412565 0.87 CES2 (0.41) CES2THRATHRBGGPS1DNM1
Sulfuric Acid SCHEMBL28748105 0.87 CES2 (0.41) CES2THRATHRBGGPS1DNM1
SCHEMBL457767 0.84 CES2 (0.46) CES2THRATHRBGGPS1DNM1
SCHEMBL457736 0.84 CES2 (0.46) CES2THRATHRBGGPS1DNM1
Hydrochloric Acid SCHEMBL17294135 0.82 CES2 (0.44) CES2THRATHRBGGPS1DNM1
SCHEMBL28816976 0.81 GRIK1 (0.40) GGPS1
SCHEMBL28395366 0.80 MAPT (0.44) THRATHRBKDM5ADNM1

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-105278097-B Liquid lens with low optical power hysteresis 派诺特无人机公司 2020-01-07 CN disclosed