SCHEMBL29640040

SCHEMBL29640040

COc1cccc(OC)c1C(=O)C(C)C(C)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL14519857 0.88 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL3117888 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28458272 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL28279435 0.80 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL29077318 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL18783451 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL29077319 0.78 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL11755425 0.78 CA1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL31257134 0.78 CTSD (0.55) KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL16674504 0.77 CA12 (0.53) CA12CA1CA2CA7CA9

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
CN-116096768-A Curable composition, heat storage material, and article 株式会社力森诺科 2023-05-09 CN disclosed
WO-2022181454-A1 COMPOSITION CONTAINING COMPOUND HAVING POLYOXYALKYLENE CHAIN AND COMPOUND HAVING POLY(METH)ACRYLATE CHAIN 昭和電工マテリアルズ株式会社 2022-09-01 WO disclosed
WO-2022181446-A1 COMPOSITION CONTAINING (METH)ACRYLAMIDE COMPOUND AND COMPOUND HAVING POLYOXYALKYLENE CHAIN 昭和電工マテリアルズ株式会社 2022-09-01 WO disclosed
WO-2022138589-A1 METHOD FOR MANUFACTURING SEMICONDUCTOR DEVICE 昭和電工マテリアルズ株式会社 2022-06-30 WO disclosed
WO-2022138590-A1 COMPOSITION AND SHEET 昭和電工マテリアルズ株式会社 2022-06-30 WO disclosed
WO-2022138562-A1 COMPOSITION AND SHEET CONTAINING CURED PRODUCT OF SAME 昭和電工マテリアルズ株式会社 2022-06-30 WO disclosed