SCHEMBL28040730

SCHEMBL28040730

CCCCC(=O)Oc1c(OC)cc(CCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
LTA4H P09960 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX15 P16050 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49

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
SCHEMBL28040077 0.86 TUBB4A (0.54) MEN1KMT2AALOX15TUBB4ATUBB
SCHEMBL2815127 0.85 ALOX15 (0.59) EPHX2LTA4HALOX15CYP1A2CYP3A4
SCHEMBL28040073 0.83 KMT2A (0.57) MEN1KMT2A
SCHEMBL2815756 0.81 ALOX15 (0.65) EPHX2LTA4HALOX15CYP1A2CYP3A4
SCHEMBL2817894 0.80 ALOX15 (0.64) EPHX2LTA4HALOX15CYP1A2CYP3A4
SCHEMBL2817144 0.80 ALOX15 (0.64) EPHX2LTA4HALOX15CYP1A2CYP3A4
SCHEMBL2815571 0.80 ALOX15 (0.64) EPHX2LTA4HALOX15CYP1A2CYP3A4
SCHEMBL2815973 0.80 ALOX15 (0.64) EPHX2LTA4HALOX15CYP1A2CYP3A4
SCHEMBL28040080 0.80 ALOX15 (0.55) MEN1KMT2AALOX15TUBB4ATUBB
SCHEMBL28040081 0.78 KMT2A (0.48) EPHX2LTA4HMEN1KMT2ATUBB4A

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
CN-105175262-A Chrysotoxine bibenzyl derivative and preparation method and application thereof UNIV CHINA PHARMA 2015-12-23 CN claimed
CN-105175262-A Chrysotoxine bibenzyl derivative and preparation method and application thereof UNIV CHINA PHARMA 2015-12-23 CN disclosed