SCHEMBL17955664

SCHEMBL17955664

CCOc1cc(OC)c(CNC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 3/20 0.46
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38
▸ TUBB2B Q9BVA1 1/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ NQO1 P15559 1/20 0.37

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
SCHEMBL29292637 0.90 CD274 (0.40) CD274TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13814620 0.84 PTPN1 (0.49) CD274PTPN1APLNRHTR7
SCHEMBL12309456 0.81 CD274 (0.48) CD274PDCD1
SCHEMBL13114968 0.81 CD274 (0.48) CD274PDCD1HTR7
SCHEMBL17689591 0.80 NQO1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3640743 0.77 APLNR (0.57) APLNRTSHRGAA
SCHEMBL12157637 0.76 ACHE (0.48) CD274MAPTSMN1; SMN2HTR7
SCHEMBL3188344 0.76 CYP1A2 (0.55) CD274PDCD1SMN1; SMN2MAPK1KDM4E
SCHEMBL13114964 0.76 PTPN1 (0.53) CD274PTPN1HTTKMT2ASMN1; SMN2
SCHEMBL12292164 0.75 CD274 (0.49) CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768842-B1 METHOD FOR SYNTHESIZING PROTEINS CENTRE NAT RECH SCIENT (FR) 2018-07-25 — — EP disclosed
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 — — US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 — — US disclosed
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