SCHEMBL29074072

SCHEMBL29074072

CC(C#N)n1ccnc1-c1ccccc1.CCCCCCCCCCCc1nccn1C(C)C#N.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
RARB P10826 3/20 0.36
PTPN11 Q06124 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
PLAA Q9Y263 1/20 0.34

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
SCHEMBL346573 0.92 ALDH1A1 (0.40) AGTR1AGTR2RARBPTPN11ALDH1A1
SCHEMBL217673 0.92 ALDH1A1 (0.40) AGTR1AGTR2RARBPTPN11ALDH1A1
SCHEMBL1695548 0.88 KDM4E (0.39) PLAA
SCHEMBL154796 0.88 KDM4E (0.39) PLAA
SCHEMBL7649337 0.87 HSD11B1 (0.41) AGTR1AGTR2
SCHEMBL28999554 0.85 AGTR1 (0.33) AGTR1AGTR2PTPN11ALDH1A1HPGD
Benzoic Acid SCHEMBL28698248 0.84 AGTR1 (0.43) AGTR1AGTR2RARBALDH1A1
SCHEMBL28441158 0.80 PTPN11 (0.39) AGTR1AGTR2RARBPTPN11
SCHEMBL22322489 0.79 ALDH1A1 (0.30) ALDH1A1HPGD
Lithium Ion SCHEMBL22042264 0.78 LTB4R (0.32) AGTR1AGTR2ALDH1A1HPGDPLAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116769274-A Resin composition 味之素株式会社 2023-09-19 CN disclosed