SCHEMBL30916784

SCHEMBL30916784

COc1cccc(-c2csc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 13/20 0.58
TUBB P07437 13/20 0.58
TUBA3C P0DPH7 13/20 0.58
TUBA1B P68363 13/20 0.58
TUBA4A P68366 13/20 0.58
TUBB4B P68371 13/20 0.58
TUBB3 Q13509 13/20 0.58
TUBB2A Q13885 13/20 0.58
TUBB8 Q3ZCM7 13/20 0.58
TUBA3E Q6PEY2 13/20 0.58
TUBA1A Q71U36 13/20 0.58
TUBA1C Q9BQE3 13/20 0.58
TUBB6 Q9BUF5 13/20 0.58
TUBB2B Q9BVA1 13/20 0.58
TUBB1 Q9H4B7 13/20 0.58
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL30916772 0.88 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916744 0.88 MAPT (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916783 0.87 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916777 0.87 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916785 0.87 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916805 0.86 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916762 0.81 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916810 0.81 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916764 0.81 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30916734 0.80 TUBB4A (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118056820-A 2, 4-Disubstituted thiophene compound and preparation method and application thereof 沈阳药科大学 2024-05-21 CN disclosed