SCHEMBL6942454

SCHEMBL6942454

CCCCCCCCCCCC(N)CC(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.54
S1PR2 O95136 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR4 O95977 4/20 0.50
CYP2D6 P10635 2/20 0.50
PLA2G1B P04054 1/20 0.50
PLA2G2A P14555 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CETP P11597 1/20 0.50

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
SCHEMBL3678209 1.00 SPHK1 (0.54) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL76227 1.00 SPHK1 (0.54) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL3676653 1.00 SPHK1 (0.54) SPHK1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL28157784 0.98 SPHK1 (0.52) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL6727149 0.98 SPHK1 (0.50) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL11050257 0.89 MEN1 (0.47) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL27570387 0.85 PLA2G1B (0.58) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL27570383 0.85 PLA2G1B (0.58) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8688268 0.84 SPHK1 (0.57) SPHK1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8686851 0.84 SPHK1 (0.57) SPHK1S1PR2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661808-A Water-based wood-like polyurethane and preparation method thereof 浙江德美博士达高分子材料有限公司 2025-03-21 CN claimed
JP-2194089-A None JP disclosed
CN-119661808-A Water-based wood-like polyurethane and preparation method thereof 浙江德美博士达高分子材料有限公司 2025-03-21 CN disclosed
CN-115612349-A Inkjet ink composition and recording method 精工爱普生株式会社 2023-01-17 CN disclosed
CN-115595017-A Inkjet ink composition and recording method 精工爱普生株式会社(JP) 2023-01-13 CN disclosed
CN-115124885-A White inkjet ink composition and inkjet recording method 精工爱普生株式会社 2022-09-30 CN disclosed
CN-111547931-B Rapid nitrogen and phosphorus removal treatment method for sewage 肇庆领誉环保实业有限公司 2022-04-19 CN disclosed
CN-105922778-B Ink jet recording method and ink jet recording apparatus 精工爱普生株式会社 2021-02-09 CN disclosed
CN-112297628-A Ink jet recording method and ink jet recording apparatus 精工爱普生株式会社 2021-02-02 CN disclosed
CN-111800953-A Preparation method of flexible circuit board 刘照平 2020-10-20 CN disclosed
CN-111547931-A Rapid nitrogen and phosphorus removal treatment method for sewage 肇庆领誉环保实业有限公司 2020-08-18 CN disclosed
EP-1045891-A4 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF GOLDSCHMIDT CHEMICAL CORP (US) 2003-01-22 EP disclosed
EP-1045891-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF Goldschmidt Chemical Corporation (US) 2000-10-25 EP disclosed
WO-1999035223-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND USES THEREOF WITCO CORPORATION (US) 1999-07-15 WO disclosed
JP-H02194089-A ADDITIVE FOR METHANOL FUEL OIL SANYO CHEM IND LTD 1990-07-31 JP disclosed