SCHEMBL28431407

SCHEMBL28431407

C=C(CCCCCCCCCCCCCCCCCC)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 8/20 0.44
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ PLA2G5 P39877 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ F2R P25116 1/20 0.37
▸ NR5A2 O00482 1/20 0.37
▸ NR5A1 Q13285 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL11651409 0.86 VCAM1 (0.38) VCAM1CA1CA2GAAXBP1
SCHEMBL11651373 0.85 VCAM1 (0.39) VCAM1CA1CA2GAAXBP1
SCHEMBL27769174 0.83 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL39477 0.83 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL7155322 0.83 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL27747905 0.83 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL11347714 0.83 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL27769201 0.83 VCAM1 (0.56) VCAM1CA1CA2GAAXBP1
SCHEMBL10915251 0.83 CA2 (0.47) VCAM1CA1CA2GAAKMT2A
SCHEMBL5027033 0.82 VCAM1 (0.55) VCAM1CA1CA2GAAXBP1

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-108084400-B Preparation method of high-performance thermoplastic polyurethane elastomer 美瑞新材料股份有限公司 2020-08-04 — — CN disclosed
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