SCHEMBL7927902

SCHEMBL7927902

COc1cc(C(O)NC(=O)c2ccc3[nH]ccc3c2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.65
TUBB P07437 2/20 0.65
TUBA3C P0DPH7 2/20 0.65
TUBA1B P68363 2/20 0.65
TUBA4A P68366 2/20 0.65
TUBB4B P68371 2/20 0.65
TUBB3 Q13509 2/20 0.65
TUBB2A Q13885 2/20 0.65
TUBB8 Q3ZCM7 2/20 0.65
TUBA3E Q6PEY2 2/20 0.65
TUBA1A Q71U36 2/20 0.65
TUBA1C Q9BQE3 2/20 0.65
TUBB6 Q9BUF5 2/20 0.65
TUBB2B Q9BVA1 2/20 0.65
TUBB1 Q9H4B7 2/20 0.65
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL8514379 0.78 TAS1R3 (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16248327 0.75 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3991708 0.74 NAE1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7023745 0.72 TAS1R3 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14121638 0.71 PPARG (0.56) TAS1R3TAS1R1CTNNB1WNT3AMAOB
SCHEMBL4438920 0.71 MAOA (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL103794 0.71 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29377304 0.71 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL701044 0.71 TAS1R3 (1.00) TAS1R3TAS1R1
SCHEMBL701043 0.71 TAS1R3 (1.00) TAS1R3TAS1R1

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
US-6228868-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-08 US disclosed