SCHEMBL17320122

SCHEMBL17320122

CCc1ccc2c(c1)[C@@H](NC(C)=O)CCc1c-2cc(OC)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.55
TUBB1 Q9H4B7 6/20 0.54
LMNA P02545 3/20 0.54
CYP2C9 P11712 3/20 0.54
TUBB4A P04350 3/20 0.54
TUBB P07437 3/20 0.54
TUBA3C P0DPH7 3/20 0.54
TUBA1B P68363 3/20 0.54
TUBA4A P68366 3/20 0.54
TUBB4B P68371 3/20 0.54
TUBB3 Q13509 3/20 0.54
TUBB2A Q13885 3/20 0.54
TUBB8 Q3ZCM7 3/20 0.54
TUBA3E Q6PEY2 3/20 0.54
TUBA1A Q71U36 3/20 0.54
TUBA1C Q9BQE3 3/20 0.54
TUBB6 Q9BUF5 3/20 0.54
TUBB2B Q9BVA1 3/20 0.54
TSHR P16473 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL17320124 0.88 PAX8 (0.52) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL18532941 0.87 TUBB1 (0.57) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL17304591 0.86 PAX8 (0.58) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL17304604 0.85 PAX8 (0.59) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL17304596 0.84 PAX8 (0.52) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL17304593 0.84 LMNA (0.55) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL17304595 0.83 PAX8 (0.54) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL18532915 0.82 PAX8 (0.52) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL17304592 0.80 PAX8 (0.53) PAX8TUBB1LMNACYP2C9TUBB4A
SCHEMBL17304603 0.78 PAX8 (0.51) PAX8TUBB1LMNACYP2C9TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952501-A2 Anti-cancer dibenzocycloheptane derivatives and a catalytic method for dibenzocycloheptane synthesis and allocolchicinoid synthesis University of Windsor (CA) 2015-12-09 EP disclosed