SCHEMBL9739018

SCHEMBL9739018

COc1cc(Cc2cccc3[nH]c[c]c23)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 0.43
TUBB P07437 11/20 0.43
TUBA3C P0DPH7 11/20 0.43
TUBA1B P68363 11/20 0.43
TUBA4A P68366 11/20 0.43
TUBB4B P68371 11/20 0.43
TUBB3 Q13509 11/20 0.43
TUBB2A Q13885 11/20 0.43
TUBB8 Q3ZCM7 11/20 0.43
TUBA3E Q6PEY2 11/20 0.43
TUBA1A Q71U36 11/20 0.43
TUBA1C Q9BQE3 11/20 0.43
TUBB6 Q9BUF5 11/20 0.43
TUBB2B Q9BVA1 11/20 0.43
TUBB1 Q9H4B7 11/20 0.43
ABCB1 P08183 3/20 0.40
MEN1 O00255 1/20 0.39
SLC22A1 O15245 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL9740681 0.79 ABCB1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9741666 0.75 CYP1A2 (0.46) MEN1CYP3A4CYP2C19KMT2ACALM1
SCHEMBL9740060 0.75 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1539241 0.73 CA1 (0.39) MEN1ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL9741708 0.73 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9740073 0.73 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9740017 0.72 DHFR (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21905231 0.71 GPR84 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31436136 0.71 GPR84 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9739295 0.69 TUBB4A (0.33) 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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed