SCHEMBL28217870

SCHEMBL28217870

CCCCCCCCCCCCN(C)C.CCCO[SH](=O)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.58
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 5/20 0.36
THRA P10827 4/20 0.36
LSS P48449 1/20 0.35
NAAA Q02083 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 2/20 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
SCHEMBL27686879 0.81 ALDH1A1 (0.46) DNM1ALDH1A1TSHRKDM4E
Trimethylammonium SCHEMBL27834415 0.79 CA1 (0.39) DNM1TSHRTHRBNAAAEPHX2
SCHEMBL27585652 0.79 ALDH1A1 (0.41) DNM1ALDH1A1TSHRLSSKDM4E
Trimethylammonium SCHEMBL28236473 0.79
Trimethylammonium SCHEMBL27720846 0.78 CA1 (0.38) DNM1TSHRNAAAEPHX2
SCHEMBL25362874 0.77 CA1 (0.43) TSHRTHRBNAAAEPHX2
SCHEMBL15602730 0.77 CA1 (0.43) TSHRTHRBNAAAEPHX2
SCHEMBL15283727 0.77 CA1 (0.43) TSHRTHRBNAAAEPHX2
SCHEMBL15094318 0.77 CA1 (0.43) TSHRTHRBNAAAEPHX2
SCHEMBL14815195 0.77 CA1 (0.43) TSHRTHRBNAAAEPHX2

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
CN-116847871-A Skin care compositions and methods of use 现代牧场股份有限公司 2023-10-03 CN disclosed
CN-104655828-B System, the method and apparatus of diagnosis based on tissue 加州大学评议会 2018-04-27 CN disclosed