SCHEMBL2009906

SCHEMBL2009906

CCOC(=O)CCNC(=O)C(O)C(C)(C)CO

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
KCNH2 Q12809 1/20 0.58
VNN1 O95497 13/20 0.53
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2009904 1.00 PTGS1 (0.58) PTGS1KCNH2VNN1GAACYP3A4
Ammonia Solution, Strong SCHEMBL27681737 0.98 PTGS1 (0.56) PTGS1KCNH2VNN1GAACYP3A4
Ether SCHEMBL21810687 0.96 PTGS1 (0.54) PTGS1KCNH2VNN1GAACYP3A4
Acetic Acid SCHEMBL31635217 0.96 PTGS1 (0.54) PTGS1KCNH2VNN1GAACYP3A4
SCHEMBL27616729 0.89 PTGS1 (0.59) PTGS1KCNH2VNN1
SCHEMBL10866945 0.89 PTGS1 (0.50) PTGS1KCNH2VNN1
SCHEMBL8389061 0.88 PTGS1 (0.55) PTGS1KCNH2VNN1
SCHEMBL8389060 0.88 PTGS1 (0.55) PTGS1KCNH2VNN1
Benzoic Acid SCHEMBL30829399 0.87 VNN1 (0.58) PTGS1KCNH2VNN1CYP3A4CYP2D6
SCHEMBL28165293 0.87 PTGS1 (0.56) PTGS1KCNH2VNN1

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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118401238-A Topical composition for acne and topical composition for selective antibacterial/bactericidal treatment of propionibacterium acnes 狮王株式会社 2024-07-26 CN claimed
WO-2024110278-A1 PRODUCTION OF PANTHENOL DSM IP ASSETS B.V. (NL) 2024-05-30 WO claimed
EP-4323331-A1 PRODUCTION OF PANTHENOL DSM IP Assets B.V. (NL) 2024-02-21 EP claimed
CN-117120412-A Production of panthenol 帝斯曼知识产权资产管理有限公司 2023-11-24 CN claimed
WO-2022219173-A1 PRODUCTION OF PANTHENOL DSM IP ASSETS B.V. (NL) 2022-10-20 WO claimed
EP-0769933-B1 ALCOHOLIC MOISTURIZING AFTER SHAVE LOTION PROCTER & GAMBLE (US) 1999-03-31 EP claimed
US-5702691-A Flavanonol derivatives and hair-nourishing, hair growing compositions containing the derivatives KAO CORPORATION (JP) 1997-12-30 US claimed
EP-0769933-A2 ALCOHOLIC MOISTURIZING AFTER SHAVE LOTION THE PROCTER & GAMBLE COMPANY (US) 1997-05-02 EP claimed
US-5527530-A CONTAINS AN ANTIINFLAMMATORY AGENT AND A MOISTURIZING EMOLLIENT TO ELIMINATE STINGING AND BURNING WHEN APPLIED TO SKIN THE PROCTER & GAMBLE COMPANY (US) 1996-06-18 US claimed
WO-1996001613-A2 ALCOHOLIC MOISTURIZING AFTER SHAVE LOTION THE PROCTER & GAMBLE COMPANY (US) 1996-01-25 WO claimed
US-4717663-A XANTHOMONAS, CULTURES, AEROBIC, PANTOTHENIC ACID AND/OR THIAMINE (DERIVATIVE) THE NISSHIN OIL MILLS, LTD. (JP) 1988-01-05 US claimed
CN-122055135-A Cosmetic compositions and methods of use thereof 玫琳凯有限公司 2026-05-15 CN disclosed
CN-120051283-A Nutraceutical compositions and methods of use thereof 玫琳凯有限公司 2025-05-27 CN disclosed
CN-115337242-B Traditional Chinese medicine composition, extract, preparation method and application thereof, cosmetics and medicines 上海如妍化妆品有限公司 2025-03-21 CN disclosed
CN-119139353-A Pharmaceutical composition and cosmetic composition 爱平世股份有限公司 2024-12-17 CN disclosed
WO-1996012498-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed
WO-1996001613-A2 ALCOHOLIC MOISTURIZING AFTER SHAVE LOTION THE PROCTER & GAMBLE COMPANY (US) 1996-01-25 WO disclosed
US-5445823-A Benzoyl peroxide and a compound for reducing skin irritation associated with it THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 US disclosed
US-4717663-A XANTHOMONAS, CULTURES, AEROBIC, PANTOTHENIC ACID AND/OR THIAMINE (DERIVATIVE) THE NISSHIN OIL MILLS, LTD. (JP) 1988-01-05 US disclosed
EP-0189861-A2 Percutaneous absorption accelerator for ionic water-soluble medicine SHOWA DENKO KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed