SCHEMBL13321977

SCHEMBL13321977

COc1ccc(Sc2ccc(OC(=O)c3cc(C(C)=O)cc(C(C)=O)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.50
▸ LMNA P02545 4/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PTGIR P43119 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GFER P55789 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ ACR P10323 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ GBA1 P04062 1/20 0.41

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
SCHEMBL13321973 0.91 LMNA (0.59) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL12762432 0.90 GAA (0.49) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL12762430 0.89 LMNA (0.59) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL12762443 0.85 MAPT (0.54) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL13321975 0.84 KMT2A (0.56) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL5451478 0.82 HPGD (0.73) KMT2ALMNAHPGDL3MBTL1PTGIR
SCHEMBL13321974 0.81 KMT2A (0.49) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL11295113 0.80 LMNA (0.55) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL10022910 0.80 KMT2A (0.56) KMT2ALMNACYP1A2CYP2C9CYP2C19
SCHEMBL11911278 0.79 LMNA (0.66) KMT2ALMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436118-B2 Synthesis of acylarylenes and hyperbranched poly(aclarylene)s by metal-free cyclotrimerization of alkynes THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2013-05-07 — — US disclosed
US-20100129757-A1 SYNTHESIS OF ACYLARYLENES AND HYPERBRANCHED POLY(ACLARYLENE)S BY METAL-FREE CYCLOTRIMERIZATION OF ALKYNES THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-05-27 — — US disclosed
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