SCHEMBL17974038

SCHEMBL17974038

CC(=O)C(NC(=O)c1ccc2c(c1)CC(O)C(C)(CCC=C(C)C)O2)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 7/20 0.34
▸ TAS1R1 Q7RTX1 7/20 0.34
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ ERAP2 Q6P179 1/20 0.31
▸ APEX1 P27695 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL17961090 0.94 CA2 (0.38) TAS1R3TAS1R1POLBKMT2APTPN1
SCHEMBL18307152 0.94 CA2 (0.38) TAS1R3TAS1R1POLBKMT2APTPN1
SCHEMBL17877818 0.94 CA2 (0.38) TAS1R3TAS1R1POLBKMT2APTPN1
SCHEMBL29382956 0.94 CA2 (0.38) TAS1R3TAS1R1POLBKMT2APTPN1
SCHEMBL29870167 0.82 TDP1 (0.46) POLBPTPN1APEX1RECQLBACE1
SCHEMBL29870166 0.82 TDP1 (0.46) POLBPTPN1APEX1RECQLBACE1
SCHEMBL17877817 0.81 OPRM1 (0.41) POLBPTPN1CTSKAPEX1RECQL
SCHEMBL13425366 0.65 PTPN1 (0.42) KMT2APTPN1
SCHEMBL10431871 0.65 HIF1A (0.49) POLBPTPN1APEX1RECQLACHE
SCHEMBL9634302 0.62 HIF1A (0.52) PTPN1SMN1; SMN2CA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944962-B2 Clone of xiamenmycin biosynthesis gene cluster and heterologous expression thereof SHANGHAI JIAO TONG UNIVERSITY (CN) 2018-04-17 — — US disclosed
US-9944962-B2 Clone of xiamenmycin biosynthesis gene cluster and heterologous expression thereof SHANGHAI JIAO TONG UNIVERSITY (CN) 2018-04-17 — — US disclosed
US-20160222422-A1 Xiamenmycin biosynthesis gene cluster, application and bacterial strain UNIV SHANGHAI JIAOTONG (CN) 2016-08-04 — — US disclosed
US-20160222422-A1 Xiamenmycin biosynthesis gene cluster, application and bacterial strain UNIV SHANGHAI JIAOTONG (CN) 2016-08-04 — — US disclosed
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