SCHEMBL3974540

SCHEMBL3974540

CCCCCCCCCCCCCCCCNCC(O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
ANPEP P15144 1/20 0.53
ERAP2 Q6P179 1/20 0.53
S1PR2 O95136 5/20 0.45
S1PR4 O95977 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR5 Q9H228 1/20 0.45
EPHX1 P07099 9/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
PKM P14618 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 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
SCHEMBL30431979 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL9575962 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL76228 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL117025 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL1685867 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL6727152 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL10530124 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL8073304 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
SCHEMBL10980335 1.00 TSHR (0.55) TSHRALDH1A1ANPEPERAP2S1PR2
Hydrochloric Acid SCHEMBL5889276 0.98 ALDH1A1 (0.52) TSHRALDH1A1ANPEPERAP2S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119101077-A Nitrogen-boron-containing compound and preparation method and application thereof 中国石油化工股份有限公司 2024-12-10 CN claimed
CN-119101077-A Nitrogen-boron-containing compound and preparation method and application thereof 中国石油化工股份有限公司 2024-12-10 CN disclosed
CN-118562546-A Grease composition and method for producing same 中国石油化工股份有限公司 2024-08-30 CN disclosed
CN-118562547-A Grease composition and method for producing same 中国石油化工股份有限公司 2024-08-30 CN disclosed
CN-117925301-A Vehicle gear oil composition and preparation method thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117917417-A Boron-containing organic matter and preparation method and application thereof 中国石油化工股份有限公司 2024-04-23 CN disclosed
CN-115286742-B Water-in-water type retention and drainage aid and preparation method thereof 山东诺尔生物科技有限公司 2023-11-21 CN disclosed
CN-115286742-A Water-in-water retention and drainage aid and preparation method thereof 山东诺尔生物科技有限公司 2022-11-04 CN disclosed
CN-111569793-B Cationic self-dispersion stable closed essence microcapsule and preparation and application thereof 东华大学 2022-01-11 CN disclosed
CN-111569793-A Cationic self-dispersion stable closed essence microcapsule and preparation and application thereof 东华大学 2020-08-25 CN disclosed
US-9034802-B2 Friction reduction fluids SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2015-05-19 US disclosed
EP-2054486-A2 FRICTION REDUCTION FLUIDS Services Pétroliers Schlumberger (FR) 2009-05-06 EP disclosed
US-20080064614-A1 Formulated to reduce drag while flowing into oil well and propagating fracture but to enhance drag when acid component reacts with formation or its fluids SCHLUMBERGER TECHNOLOGY CORPORATION 2008-03-13 US disclosed
WO-2008020388-A2 FRICTION REDUCTION FLUIDS SCHLUMBERGER CANADA LIMITED (CA) 2008-02-21 WO disclosed