SCHEMBL4765548

SCHEMBL4765548

CC(C)OC(=O)Nc1ccc(Br)nc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.41
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40
▸ TUBA1A Q71U36 2/20 0.40
▸ TUBA1C Q9BQE3 2/20 0.40
▸ TUBB6 Q9BUF5 2/20 0.40
▸ TUBB2B Q9BVA1 2/20 0.40
▸ TUBB1 Q9H4B7 2/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL4772581 0.87 HPGD (0.42) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14145729 0.73 HPGD (0.42) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16517618 0.72 HCAR3 (0.48) HPGDCYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL4774522 0.71 HPGD (0.43) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16517241 0.71 MAPT (0.44) HPGDSMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL2524672 0.71 GAA (0.43) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15574129 0.70 MMP2 (0.44) ALOX15ALDH1A1KMT2AHTT
SCHEMBL24679021 0.70 EIF4A3 (0.37) SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL75565 0.69 KDM4E (0.51) MAOBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16517756 0.69 PTGER4 (0.50) SMN1; SMN2NPC1RAB9AMAPTKDM4E

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
EP-1732933-B1 COMPOUNDS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2008-07-23 — — EP disclosed
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