SCHEMBL13321975

SCHEMBL13321975

COc1ccc(C(=O)c2ccc(OC(=O)c3cc(C(C)=O)cc(C(C)=O)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.56
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51

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 0.93 LMNA (0.59) KMT2ALMNAMAPTMAPK1CYP1A2
SCHEMBL17263307 0.88 TUBB4A (0.64) KMT2ALMNAMAPTMAPK1MEN1
SCHEMBL11911278 0.84 LMNA (0.66) KMT2ALMNAMAPTRAB9AHPGD
SCHEMBL13321977 0.84 KMT2A (0.50) KMT2ALMNAMAPTMAPK1MEN1
SCHEMBL13321974 0.83 KMT2A (0.49) KMT2ALMNAMAPTMAPK1MEN1
SCHEMBL9963642 0.82 MAPT (0.68) KMT2ALMNAMAPTMAPK1MEN1
SCHEMBL14430924 0.82 KMT2A (0.57) KMT2ALMNAMAPTMEN1CYP1A2
SCHEMBL10022910 0.82 KMT2A (0.56) KMT2ALMNAMAPTMAPK1MEN1
SCHEMBL14407753 0.81 LMNA (0.66) KMT2ALMNAMAPTALDH1A1CYP1A2
SCHEMBL13503146 0.81 LMNA (0.66) KMT2ALMNAMAPTALDH1A1CYP1A2

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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