SCHEMBL28040080

SCHEMBL28040080

COc1ccc(CCc2cc(OC)c(OC(=O)CC(C)C)c(OC)c2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
KDM4E B2RXH2 2/20 0.48
TP53 P04637 1/20 0.48

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 0.85 TUBB4A (0.54) ALOX15KMT2AMEN1TUBB4ATUBB
SCHEMBL28040067 0.83 ADRB2 (0.53) ALOX15KMT2AMEN1TUBB4ATUBB
SCHEMBL2816724 0.83 ALOX15 (0.61) ALOX15KMT2AMEN1KDM4ETP53
SCHEMBL28040730 0.80 EPHX2 (0.53) ALOX15KMT2AMEN1TUBB4ATUBB
SCHEMBL28040073 0.79 KMT2A (0.57) KMT2AMEN1ALDH1A1
SCHEMBL28040081 0.76 KMT2A (0.48) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL891511 0.76 PTGS1 (0.71) ALOX15KMT2AMEN1KDM4ETP53
SCHEMBL28040076 0.76 KMT2A (0.61) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL20696534 0.76 TUBB4A (0.74) KMT2AMEN1TUBB4ATUBBTUBA3C
SCHEMBL29689431 0.76 TUBB4A (0.74) KMT2AMEN1TUBB4ATUBBTUBA3C

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