SCHEMBL9449379

SCHEMBL9449379

CCOC(=O)c1[nH]c2cccc(CC)c2c1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.49
▸ TUBB4A P04350 2/20 0.47
▸ TUBB P07437 2/20 0.47
▸ TUBA3C P0DPH7 2/20 0.47
▸ TUBA1B P68363 2/20 0.47
▸ TUBA4A P68366 2/20 0.47
▸ TUBB4B P68371 2/20 0.47
▸ TUBB3 Q13509 2/20 0.47
▸ TUBB2A Q13885 2/20 0.47
▸ TUBB8 Q3ZCM7 2/20 0.47
▸ TUBA3E Q6PEY2 2/20 0.47
▸ TUBA1A Q71U36 2/20 0.47
▸ TUBA1C Q9BQE3 2/20 0.47
▸ TUBB6 Q9BUF5 2/20 0.47
▸ TUBB2B Q9BVA1 2/20 0.47
▸ TUBB1 Q9H4B7 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ HTR1D P28221 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
SCHEMBL29198788 0.73 KDM4E (0.66) HTR6KDM4EALDH1A1HSD17B10MAPT
SCHEMBL3029129 0.72 HTR6 (0.75) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27408415 0.72 ALDH1A1 (0.54) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8977641 0.72 ALDH1A1 (0.50) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9449759 0.72 GPR17 (0.54) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28987827 0.72 HTR6 (0.46) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15623026 0.72 HTR6 (0.52) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7245267 0.72 HTR6 (0.46) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9189433 0.71 ALDH1A1 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7511884 0.71 DRD2 (0.61) HTR6DRD2DRD4DRD3KDM4E

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
US-5229413-A Nervous system disorders G. D. SEARLE & CO. (US) 1993-07-20 — — US disclosed
US-5137910-A Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders C.D. SEARLE & CO. (US) 1992-08-11 — — US disclosed
EP-0396124-A2 Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders G.D. Searle & Co. (US) 1990-11-07 — — EP disclosed
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