SCHEMBL30430100

SCHEMBL30430100

CCCCCCCCCCCC(=O)C(C)(NC)C(=O)[O-].[Na+]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.41
▸ CES1 P23141 9/20 0.47
▸ FAAH O00519 8/20 0.47
▸ CES2 O00748 6/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HAO1 Q9UJM8 1/20 0.41

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
Hydrochloric Acid SCHEMBL28919223 0.85 FAAH (0.53) CES1FAAHCES2MEN1CYP1A2
SCHEMBL28237691 0.82 FAAH (0.50) CES1FAAHCES2MEN1CYP1A2
SCHEMBL4029940 0.82 FAAH (0.50) CES1FAAHCES2MEN1CYP1A2
SCHEMBL29007045 0.81 FAAH (0.48) CES1FAAHCES2MEN1CYP1A2
SCHEMBL1434474 0.77 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL1434320 0.77 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL157582 0.77 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL67299 0.77 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL5424532 0.77 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL1434216 0.77 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2

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-119612994-A Cement mineralizer and preparation method and application thereof 山西天润恒德新材料有限公司 2025-03-14 — — CN disclosed
CN-119367249-A Gel-like facial cleanser composition and preparation method and application thereof 广东博然堂生物科技有限公司 2025-01-28 — — CN disclosed
CN-113999730-B Mite-removing laundry detergent and preparation method thereof 江西锦润药业有限公司 2024-01-12 — — CN disclosed
CN-110662784-B Alkylene oxide derivative, wetting agent, solubilizing agent and solubilizing composition 日油株式会社 2023-05-26 — — CN disclosed
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