SCHEMBL5177477

SCHEMBL5177477

CCN(CC(=O)O)[C@](O)(CC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
FFAR3 O14843 1/20 0.31
ADRA1A P35348 2/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL27845166 0.87 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL4439902 0.81 TDP1 (0.50) TDP1EYA2APPACEADRA1A
SCHEMBL9451184 0.78 FFAR3 (0.36) TDP1EYA2APPACEFFAR3
SCHEMBL7611993 0.77 TSHR (0.36) ALDH1A1TDP1EYA2APPACE
SCHEMBL3871128 0.73 FFAR3 (0.36) TDP1EYA2APPACEFFAR3
SCHEMBL4998632 0.71 ALDH1A1 (0.44) ALDH1A1TDP1EYA2APPACE
SCHEMBL4998637 0.71 ALDH1A1 (0.44) ALDH1A1TDP1EYA2APPACE
SCHEMBL6562039 0.70 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17537484 0.68 MEN1 (0.35) MEN1KMT2ATDP1EYA2APP
SCHEMBL28537764 0.68 TET2 (0.33) ALDH1A1TDP1ADRA1AHMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247791-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2023-09-27 EP disclosed
WO-2023143741-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed
WO-2022105986-A1 NOVEL COOLING AGENTS AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO disclosed
WO-2022106452-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO disclosed
EP-3986371-A1 PRODUCT FOR DYEING KERATINOUS MATERIAL, CONTAINING AMINOSILICONE, A CHROMOPHORIC COMPOUND, PRESERVATIVE AND ETHOXYLATED FATTY ALCOHOL Henkel AG & Co. KGaA (DE) 2022-04-27 EP disclosed
EP-1272186-B1 THERAPEUTIC COMBINATIONS OF ANTIHYPERTENSIVE AND ANTIANGIOGENIC AGENTS ASTRAZENECA AB (SE) 2007-02-28 EP disclosed
EP-1423371-A1 TRIAZINE DERIVATIVES AND THEIR USE AS SUNSCREENS Ciba SC Holding AG (CH) 2004-06-02 EP disclosed
WO-2003016289-A1 TRIAZINE DERIVATIVES AND THEIR USE AS SUNSCREENS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-02-27 WO disclosed