SCHEMBL2127362

SCHEMBL2127362

O=C1CCCCC(C2CCCCC(=O)O2)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
TSHR P16473 3/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.32
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
CYP1A2 P05177 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 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
SCHEMBL4353566 1.00 CA1 (0.42) CA1CA9CA2CA4TSHR
SCHEMBL7808875 0.97 CA1 (0.41) CA1CA9CA2CA4TSHR
SCHEMBL1491997 0.95 CA1 (0.44) CA1CA9CA2CA4TSHR
SCHEMBL3389129 0.91 CA1 (0.37) CA1CA9CA2CA4TSHR
SCHEMBL17866480 0.91 CA1 (0.37) CA1CA9CA2CA4TSHR
SCHEMBL5880374 0.87 CA1 (0.46) CA1CA9TSHRLMNACYP1A2
SCHEMBL1329704 0.86 CA1 (0.37) CA1CA9CA2CA4TSHR
SCHEMBL29019030 0.86 CA1 (0.37) CA1CA9CA2CA4TSHR
SCHEMBL3138434 0.86 CA1 (0.37) CA1CA9CA2CA4TSHR
SCHEMBL13304668 0.83 CA1 (0.38) CA1CA9TSHRCYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096130-B1 Reabsorbing block polymer and method for its manufacture and application INST TEXTIL & FASERFORSCHUNG (DE) 2012-04-25 EP claimed
CN-118307754-A Full-natural-domain degradable copolyester and preparation method thereof 中国科学院理化技术研究所 2024-07-09 CN disclosed
CN-111925508-A Preparation method of polycaprolactone and product thereof 浙江大学 2020-11-13 CN disclosed
CN-111093664-A Organic compounds 细胞内治疗公司 2020-05-01 CN disclosed
US-4504635-A Process for the preparation of polymeric compositions UNION CARBIDE CORPORATION (US) 1985-03-12 US disclosed
US-4415728-A BINDERS FOR SOLID PROPELLANTS HER MAJESTY THE QUEEN IN RIGHT OF CANADA (CA) 1983-11-15 US disclosed