SCHEMBL19669615

SCHEMBL19669615

COc1cc2c(cc1O)C(c1cc(C=O)c(OC)c(OC)c1)OC(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.38
▸ TP53 P04637 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34

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
SCHEMBL18270538 0.90 LMNA (0.42) TP53CA2LMNANFKB1NFKB2
SCHEMBL18270539 0.85 LMNA (0.42) TP53CA2LMNANFKB1NFKB2
SCHEMBL18268179 0.78 TP53 (0.40) TP53CA2LMNAALDH1A1CYP2D6
SCHEMBL18268181 0.78 LMNA (0.38) TP53CA2LMNATUBB4ATUBB
SCHEMBL19669616 0.73 KDM4E (0.41) ERN1CA2LMNANFKB1NFKB2
SCHEMBL19669613 0.73 KDM4E (0.41) ERN1CA2LMNANFKB1NFKB2
SCHEMBL19669617 0.73 KDM4E (0.41) ERN1CA2LMNANFKB1NFKB2
SCHEMBL18268205 0.71 ALDH1A1 (0.47) TP53CA2LMNAALDH1A1MAPT
SCHEMBL17001498 0.66 ALDH1A1 (0.40) TP53CA2LMNAALDH1A1MAPT
SCHEMBL18268180 0.64 CA2 (0.44) CA2LMNAALDH1A1MAPTHPGD

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
US-9834525-B2 Inhibitors of paxillin function and related compositions and methods UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-05 — — US disclosed
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