SCHEMBL6874334

SCHEMBL6874334

CC(OC(=O)c1ccc2[nH]ccc2c1)OC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ 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 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL1675118 0.82 CA12 (0.53) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL6874059 0.80 MAOA (0.50) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL27752787 0.77 TAS1R3 (0.50) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL6614030 0.77 TAS1R3 (0.51) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL3106353 0.76 TUBB4A (0.51) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL6865989 0.76 ACHE (0.41) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL27683750 0.76 TAS1R3 (0.46) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL17773173 0.74 RAB9A (0.54) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL29377304 0.74 TUBB4A (0.58) TAS1R3TAS1R1TUBB4ATUBBTUBA3C
SCHEMBL103794 0.74 TUBB4A (0.58) TAS1R3TAS1R1TUBB4ATUBBTUBA3C

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
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 — — EP disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — WO disclosed
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