SCHEMBL20693183

SCHEMBL20693183

CNc1cc(CCc2cc(OC)c(OC)c(OC)c2)ccc1OC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.52
TUBB P07437 4/20 0.52
TUBA3C P0DPH7 4/20 0.52
TUBA1B P68363 4/20 0.52
TUBA4A P68366 4/20 0.52
TUBB4B P68371 4/20 0.52
TUBB3 Q13509 4/20 0.52
TUBB2A Q13885 4/20 0.52
TUBB8 Q3ZCM7 4/20 0.52
TUBA3E Q6PEY2 4/20 0.52
TUBA1A Q71U36 4/20 0.52
TUBA1C Q9BQE3 4/20 0.52
TUBB6 Q9BUF5 4/20 0.52
TUBB2B Q9BVA1 4/20 0.52
TUBB1 Q9H4B7 4/20 0.52
GAA P10253 1/20 0.49
CYP19A1 P11511 2/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL20693105 0.81 TUBB1 (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20693269 0.81 CYP19A1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20693185 0.80 GAA (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20689896 0.78 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20693265 0.77 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20689895 0.76 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29689431 0.75 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20696534 0.75 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30833319 0.72 KMT2A (0.51) GAAMEN1KMT2APOLB
SCHEMBL29689451 0.72 TUBB4A (0.66) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
WO-2019020026-A1 DIFLUOROMETHOXY SUBSTITUTED DIPHENYLETHANE AND TRANS-STILBENE DERIVATIVES, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海华理生物医药股份有限公司 2019-01-31 WO disclosed