SCHEMBL5459902

SCHEMBL5459902

COc1ccc(-c2ccccc2)c(OC)c1-c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 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
SCHEMBL5455534 0.84 TUBB4A (0.49) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22360334 0.80 TUBB4A (0.46) CNR2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL5460183 0.80 HPGD (0.50) CNR2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL12455943 0.79 PDE4B (0.53) CNR2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL5461153 0.78 HTR1A (0.51) CNR2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL5459904 0.78 NPC1 (0.44) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5457231 0.78 CNR2 (0.46) CNR2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL13781467 0.77 ALDH1A1 (0.46) CNR2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL13781457 0.77 ALDH1A1 (0.46) CNR2ALDH1A1TUBB4ATUBBTUBA3C
Toluene SCHEMBL27771682 0.76 NFE2L2 (0.45) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39663-E1 Electron-deficient nitrogen heterocycle-substituted fluorescein dyes APPLERA CORPORATION (US) 2007-05-29 US disclosed
EP-1196640-B1 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORP (US) 2004-02-04 EP disclosed
EP-1196640-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES Applera Corporation (US) 2002-04-17 EP disclosed
WO-2001057264-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORPORATION (US) 2001-08-09 WO disclosed
US-6221604-B1 CONJUGATED TO SUBSTRATES SUCH AS NUCLEOSIDES OR NUCLEOTIDES AND USED AS DETECTION LABELS IN MOLECULAR BIOLOGY EXPERIMENTS; ENERGY TRANSFER DYE PE CORPORATION 2001-04-24 US disclosed