SCHEMBL3671435

SCHEMBL3671435

Cc1c(Cc2ccc(Br)cc2)c(OC(F)F)nc2c(Cl)ccc(OCC(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.41
PPARD Q03181 5/20 0.35
AKR1B1 P15121 1/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
RORC P51449 1/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3777818 0.93 PTGDR2 (0.44) PTGDR2PPARDTSHRTDP1RORC
SCHEMBL3779640 0.92 PTGDR2 (0.45) PTGDR2PPARDTSHRTDP1RORC
SCHEMBL533998 0.89 PTGDR2 (0.40) PTGDR2PPARDAKR1B1TSHRTDP1
SCHEMBL2574695 0.89 PTGDR2 (0.33) PTGDR2TSHR
SCHEMBL3786033 0.89 PTGDR2 (0.40) PTGDR2RORC
SCHEMBL2572541 0.88 PTGDR2 (0.39) PTGDR2PPARDTSHRTDP1RORC
SCHEMBL10331941 0.87 PTGDR2 (0.39) PTGDR2PPARDTSHRTDP1RORC
SCHEMBL3724274 0.86 PTGDR2 (0.39) PTGDR2PPARD
SCHEMBL2573522 0.86 PTGDR2 (0.38) PTGDR2PPARD
SCHEMBL3785469 0.85 PTGDR2 (0.51) PTGDR2PPARDTSHRTDP1

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-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO disclosed