SCHEMBL5045277

SCHEMBL5045277

Bc1cc(C=O)cc(OC)c1OCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
ALDH1A1 P00352 9/20 0.44
MAPK1 P28482 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
TSHR P16473 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL7462928 0.91 FDPS (0.51) FDPSALDH1A1MAPK1TUBB4ATUBB
SCHEMBL7462173 0.86 FDPS (0.50) FDPSALDH1A1MAPK1TSHRMEN1
SCHEMBL7829405 0.84 FDPS (0.49) FDPSALDH1A1MAPK1MEN1KMT2A
SCHEMBL9122728 0.84 FDPS (0.49) FDPSALDH1A1MAPK1MEN1KMT2A
SCHEMBL8772656 0.84 FDPS (0.49) FDPSALDH1A1MAPK1MEN1KMT2A
SCHEMBL4007449 0.84 ALDH1A1 (0.51) FDPSALDH1A1MAPK1TUBB4ATUBB
SCHEMBL18033266 0.84 FDPS (0.45) FDPSALDH1A1MAPK1TUBB4ATUBB
SCHEMBL11765947 0.84 ALDH1A1 (0.63) FDPSALDH1A1MAPK1TUBB4ATUBB
SCHEMBL14224314 0.82 ALDH1A1 (0.44) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL7466433 0.82 FDPS (0.53) FDPSALDH1A1MAPK1TUBB4ATUBB

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
WO-2012062905-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed