SCHEMBL29023591

SCHEMBL29023591

CCCCCCCCCCCCCCCCCCOC(CN(C)CCO)OCCCCCCCCCCCCCCCCCC.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 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.37
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
LPAR6 P43657 2/20 0.32
LPAR1 Q92633 2/20 0.32

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
SCHEMBL3663196 0.83 USP2 (0.50) GGPS1THRBMEN1HTTKMT2A
SCHEMBL29015846 0.82 LMNA (0.40) GGPS1THRBTHRACA2CA9
SCHEMBL28504651 0.82 MAPT (0.44) THRBTHRAMEN1KMT2AMAPT
SCHEMBL28395366 0.82 MAPT (0.44) THRBTHRAMEN1KMT2AMAPT
SCHEMBL31015709 0.81 MAPK1 (0.43) THRBTHRAMEN1KMT2AMAPT
SCHEMBL28644987 0.81 SPHK1 (0.33) THRBMEN1HTTKMT2AMAPT
SCHEMBL11672911 0.81 S1PR2 (0.46) GGPS1THRBTHRA
SCHEMBL28644984 0.80 THRB (0.46) THRBTHRAMEN1HTTKMT2A
SCHEMBL28266878 0.80 THRB (0.46) THRBTHRAMEN1HTTKMT2A
SCHEMBL29023592 0.79 SPHK1 (0.37) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117769354-A Barrier film composition 阿比尔技术公司 2024-03-26 CN disclosed
CN-116158986-B Hair cationic conditioner with fluffy effect 佛山合德新材料有限公司 2023-11-28 CN disclosed
CN-114748369-B High-smoothness easy-carding type silicon-free hair conditioner and preparation method thereof 上海蜂花日用品有限公司 2023-11-03 CN disclosed
CN-116158986-A Hair cationic conditioner with fluffy and color-fixing effects 佛山合德新材料有限公司 2023-05-26 CN disclosed