SCHEMBL15529093

SCHEMBL15529093

CCOC(C(=O)O)c1cccc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.38
HTR1A P08908 4/20 0.38
AURKA O14965 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
HTR1B P28222 2/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL29966351 0.78 MAPT (0.45) GPR84HTR1AMEN1KMT2AMAPT
SCHEMBL27771442 0.77 HPGD (0.44) MEN1KMT2ACYP1A2KDM4ECYP2C9
SCHEMBL6099297 0.76 PTGS2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29966571 0.76 PTGS2 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29966865 0.76 KMT2A (0.43) HTR1AAURKAHTR1BMEN1KMT2A
SCHEMBL29966906 0.75 PKM (0.41) GPR84HTR1AAURKATUBB4ATUBB
SCHEMBL7610990 0.74 HPGDS (0.38) MEN1KMT2AMAPTPKMADRB2
SCHEMBL1880678 0.71 HTR1A (0.46) GPR84HTR1AHTR1BMEN1KMT2A
SCHEMBL10502553 0.71 GPR84 (0.57) GPR84HTR1AMEN1KMT2AMAPT
SCHEMBL27512117 0.71 PPARA (0.41) MEN1KMT2AKDM4ECYP2D6TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855456-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-04-08 EP claimed
WO-2013164802-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2013-11-07 WO claimed
EP-2855456-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-04-08 EP disclosed
WO-2013164802-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2013-11-07 WO disclosed