SCHEMBL27713316

SCHEMBL27713316

CCC(=O)OC(c1cc2cc(C(C)=O)ccc2[nH]1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.37
▸ PDGFRB P09619 3/20 0.36
▸ PDGFRA P16234 3/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ BCAT1 P54687 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PLD2 O14939 1/20 0.33
▸ PLD1 Q13393 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ S100A4 P26447 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ GRM1 Q13255 1/20 0.32

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
SCHEMBL27733691 0.91 ELANE (0.41) HRH3PDGFRBPDGFRACTNNB1WNT3A
SCHEMBL27733782 0.87 KDM4E (0.43) PDGFRBPDGFRAALDH1A1HPGDMEN1
SCHEMBL28770872 0.87 PDGFRB (0.43) PDGFRBPDGFRABCAT1ALDH1A1MAPT
SCHEMBL27713340 0.86 ATM (0.41) PDGFRBPDGFRAALDH1A1HPGDTSHR
SCHEMBL27713445 0.86 BCAT1 (0.45) HRH3PDGFRBPDGFRAHRH4BCAT1
SCHEMBL27713332 0.86 MEN1 (0.42) HRH3HRH4BCAT1ALDH1A1MAPT
SCHEMBL27713329 0.83 AR (0.39) PDGFRBPDGFRAHRH4HDAC2CTNNB1
SCHEMBL27733871 0.82 KDM4E (0.44) PDGFRBPDGFRAHDAC2BCAT1MAPT
SCHEMBL27733651 0.80 MMP2 (0.38) MMP2MMP13ALDH1A1MAPTMEN1
SCHEMBL27713298 0.79 GPR27 (0.34) PDGFRBPDGFRAKMT2A

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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