SCHEMBL30007756

SCHEMBL30007756

COc1cc(CCc2cc(O)c(OC)c(OC)c2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.73
TUBB P07437 4/20 0.73
TUBA3C P0DPH7 4/20 0.73
TUBA1B P68363 4/20 0.73
TUBA4A P68366 4/20 0.73
TUBB4B P68371 4/20 0.73
TUBB3 Q13509 4/20 0.73
TUBB2A Q13885 4/20 0.73
TUBB8 Q3ZCM7 4/20 0.73
TUBA3E Q6PEY2 4/20 0.73
TUBA1A Q71U36 4/20 0.73
TUBA1C Q9BQE3 4/20 0.73
TUBB6 Q9BUF5 4/20 0.73
TUBB2B Q9BVA1 4/20 0.73
TUBB1 Q9H4B7 4/20 0.73
PTPN1 P18031 2/20 0.71
AKR1B1 P15121 2/20 0.66
TAAR1 Q96RJ0 2/20 0.65
TSHR P16473 2/20 0.65
MAPK1 P28482 1/20 0.65

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
SCHEMBL18546197 1.00 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29349807 1.00 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18563074 0.93 TUBB4A (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30079962 0.88 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29286367 0.88 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29604390 0.88 PTPN1 (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17780116 0.88 PTPN1 (0.82) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18563066 0.87 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11504708 0.87 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29286368 0.86 AKR1B1 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022236789-A1 EXTRACT OF DENDROBIUM SINENSE, DENDROBIUM DENSIFLORUM, OR DENDROBIUM BENSONIAE, AND APPLICATION OF MAIN COMPONENTS THEREOF AS ANTI-INFLAMMATORY FORMULATION 中国热带农业科学院热带生物技术研究所 2022-11-17 WO disclosed
WO-2022236789-A1 EXTRACT OF DENDROBIUM SINENSE, DENDROBIUM DENSIFLORUM, OR DENDROBIUM BENSONIAE, AND APPLICATION OF MAIN COMPONENTS THEREOF AS ANTI-INFLAMMATORY FORMULATION 中国热带农业科学院热带生物技术研究所 2022-11-17 WO disclosed