SCHEMBL5455265

SCHEMBL5455265

CCCCCCCCCCCCOc1ccc(C=C(C#N)c2cc(OC)c(C(C#N)=Cc3ccc(OCCCCCCCCCCCC)cc3)cc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 3/20 0.48
▸ TUBB P07437 3/20 0.48
▸ TUBA3C P0DPH7 3/20 0.48
▸ TUBA1B P68363 3/20 0.48
▸ TUBA4A P68366 3/20 0.48
▸ TUBB4B P68371 3/20 0.48
▸ TUBB3 Q13509 3/20 0.48
▸ TUBB2A Q13885 3/20 0.48
▸ TUBB8 Q3ZCM7 3/20 0.48
▸ TUBA3E Q6PEY2 3/20 0.48
▸ TUBA1A Q71U36 3/20 0.48
▸ TUBA1C Q9BQE3 3/20 0.48
▸ TUBB6 Q9BUF5 3/20 0.48
▸ TUBB2B Q9BVA1 3/20 0.48
▸ TUBB1 Q9H4B7 3/20 0.48
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ AHR P35869 1/20 0.44
▸ NR5A1 Q13285 1/20 0.43
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL5443344 1.00 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5455253 1.00 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5443351 1.00 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28686990 0.93 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14432739 0.91 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14432743 0.91 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11658879 0.83 NQO2 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11659236 0.83 NQO2 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15397088 0.82 ALDH1A1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11659439 0.82 TP53 (0.52) NR5A1GAAMAPTNQO2PLA2G4B

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
US-20070158624-A1 Time-temperature indicators NATIONAL SCIENCE FOUNDATION 2007-07-12 — — US claimed
US-20070158624-A1 Time-temperature indicators NATIONAL SCIENCE FOUNDATION 2007-07-12 — — US disclosed
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