SCHEMBL28346830

SCHEMBL28346830

Cc1cc(C)c2c(ccc3cc(O)c(O)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 2/20 0.44
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL29659617 1.00 TUBB4A (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28349792 0.91 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29659608 0.91 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28349690 0.84 CYP1A2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4884877 0.76 CYP1A2 (0.50) CYP1A2CYP2A6TP53TDP1KDM4E
SCHEMBL13316749 0.76 TP53 (0.46) CYP1A2CYP2A6TP53TDP1KDM4E
SCHEMBL29659671 0.76 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29659673 0.76 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28346951 0.76 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28346983 0.76 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110742271-B Application of yam active component in preparation of intestinal mucosa injury improver and application thereof 广东省农业科学院蚕业与农产品加工研究所 2022-06-14 CN claimed
CN-110742271-B Application of yam active component in preparation of intestinal mucosa injury improver and application thereof 广东省农业科学院蚕业与农产品加工研究所 2022-06-14 CN disclosed
CN-110742271-A Application of yam active component as gastrointestinal mucosa injury improver and application thereof 广东省农业科学院蚕业与农产品加工研究所 2020-02-04 CN disclosed