SCHEMBL7961832

SCHEMBL7961832

COc1ccc2c(c1)OC(c1cc(OC)c(OC)c(OC)c1)C=C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 16/20 1.00
NFKB2 Q00653 16/20 1.00
RELA Q04206 16/20 1.00
ABCB1 P08183 2/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL7971958 0.88 NFKB1 (0.77) NFKB1NFKB2RELAABCB1
SCHEMBL25187265 0.82 NFKB1 (0.69) NFKB1NFKB2RELAABCB1
SCHEMBL25264495 0.82 NFKB1 (0.69) NFKB1NFKB2RELAABCB1
SCHEMBL8934605 0.77 NFKB1 (0.63) NFKB1NFKB2RELATUBB4ATUBB
SCHEMBL7351311 0.73 NFKB1 (0.57) NFKB1NFKB2RELATUBB4ATUBB
SCHEMBL6493076 0.71 NFKB1 (0.55) NFKB1NFKB2RELA
SCHEMBL7961876 0.71 NFKB1 (0.76) NFKB1NFKB2RELAABCB1
SCHEMBL7975443 0.71 NFKB1 (1.00) NFKB1NFKB2RELAABCB1
SCHEMBL7975362 0.71 NFKB1 (1.00) NFKB1NFKB2RELAABCB1
SCHEMBL25197813 0.70 NFKB1 (0.54) NFKB1NFKB2RELAABCB1

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-9624190-B2 Catalytic enantioselective synthesis of 2-aryl chromenes and related phosphoramidite ligands and catalyst compounds NORTHWESTERN UNIVERSITY (US) 2017-04-18 US disclosed
WO-2001072735-A2 BENZOPYRANES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-04 WO disclosed