SCHEMBL17845147

SCHEMBL17845147

Cc1c(-c2ccc(F)cc2)[nH]c2ccc(OCc3ccccc3)c(Cc3ccc(Br)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPK14 Q16539 3/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
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
SCHEMBL5657055 0.76 MCL1 (0.37) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5606955 0.72 L3MBTL1 (0.42) LMNAMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL8610000 0.69 CTSV (0.53) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL19949651 0.69 TRPM8 (0.52) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL9017495 0.69 PPARG (0.46) MAPK14MAPK13MAPK12MAPK11TUBB4A
SCHEMBL4144103 0.67 CTSV (0.47) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL5690733 0.66 PTGER1 (0.53) PTGER1ALDH1A1SLC6A4MEN1KMT2A
SCHEMBL4156570 0.66 CTSV (0.55) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL437304 0.65 PTGS1 (0.39) LMNAMAPK14MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL436260 0.65 PTGS1 (0.38) LMNAMAPK14MAPK13MAPK12MAPK11

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
EP-3233828-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed