SCHEMBL7784922

SCHEMBL7784922

COc1ccc(C(NC(C)c2cc(F)cc(F)c2)c2cc(N)c(OC)c(OC)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34
TUBB4A P04350 5/20 0.34
TUBB P07437 5/20 0.34
TUBA3C P0DPH7 5/20 0.34
TUBA1B P68363 5/20 0.34
TUBA4A P68366 5/20 0.34
TUBB4B P68371 5/20 0.34
TUBB3 Q13509 5/20 0.34
TUBB2A Q13885 5/20 0.34
TUBB8 Q3ZCM7 5/20 0.34
TUBA3E Q6PEY2 5/20 0.34
TUBA1A Q71U36 5/20 0.34
TUBA1C Q9BQE3 5/20 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
SCHEMBL7784893 0.89 ALDH1A1 (0.34) ALDH1A1LMNAGAACA1CA2
SCHEMBL7785112 0.84 KMT2A (0.44) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL7789422 0.84 ABCB1 (0.40) ALDH1A1LMNAGAAABCB1ABCC1
SCHEMBL7785536 0.83 ALDH1A1 (0.39) ALDH1A1LMNAGAACA1CA2
SCHEMBL27540176 0.83 ALDH1A1 (0.39) ALDH1A1LMNAGAACA1CA2
SCHEMBL7787498 0.83 CA1 (0.34) LMNAGAAABCB1ABCC1CA1
SCHEMBL7780319 0.79 CYP2D6 (0.40) ALDH1A1LMNAGAACA1CA2
SCHEMBL7785129 0.79 ALDH1A1 (0.45) ALDH1A1LMNAGAACA1CA2
SCHEMBL7785574 0.79 ALDH1A1 (0.45) ALDH1A1LMNAGAACA1CA2
SCHEMBL7795456 0.78 CXCR2 (0.35) ALDH1A1LMNAGAAABCB1ABCC1

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed