SCHEMBL28040573

SCHEMBL28040573

COc1ccc(CCc2cc(OC)c(OCCC(C)C)c(OC)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CYP19A1 P11511 1/20 0.50
STAT3 P40763 1/20 0.50
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MRGPRX1 Q96LB2 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
SCHEMBL28040567 0.85 CYP19A1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28040572 0.83 CALM1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28040071 0.82 CALM1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL178400 0.81 STAT3 (0.67) CYP19A1STAT3ATMKDM4EABCB1
SCHEMBL18647929 0.79 CYP19A1 (0.50) CYP19A1STAT3ATMKDM4EAOC3
SCHEMBL20696534 0.79 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29689431 0.79 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17521751 0.77 MRGPRX1 (0.54) STAT3KDM4EMRGPRX1CALM1HDAC1
SCHEMBL16641094 0.77 CYP19A1 (0.77) CYP19A1STAT3ATMKDM4EABCB1
SCHEMBL31157848 0.77 CYP19A1 (0.77) CYP19A1STAT3ATMKDM4EABCB1

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