SCHEMBL7817290

SCHEMBL7817290

COc1ccc(C2c3ccccc3CC2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 3/20 0.61
▸ EDNRB P24530 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GID4 Q8IVV7 1/20 0.45
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SLC6A9 P48067 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FABP7 O15540 1/20 0.41
▸ FABP3 P05413 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL27456073 0.88 EDNRA (0.52) EDNRAEDNRBL3MBTL1GID4GABRA1
SCHEMBL27324531 0.85 EDNRA (0.52) EDNRATSHRKMT2AFABP7FABP5
SCHEMBL8626412 0.81 GABRA1 (0.48) EDNRAEDNRBGABRA1GABRB2
SCHEMBL27569651 0.78 EDNRA (0.52) EDNRAEDNRBGID4ALDH1A1
SCHEMBL14489184 0.78 GID4 (0.50) EDNRAEDNRBGID4GABRA1GABRB2
SCHEMBL27470997 0.77 KMT2A (0.45) EDNRAEDNRBTSHRSMN1; SMN2ALDH1A1
SCHEMBL7586063 0.76 EDNRA (1.00) EDNRAEDNRBTSHRRECQLSMN1; SMN2
SCHEMBL7586070 0.76 EDNRA (1.00) EDNRAEDNRBTSHRRECQLSMN1; SMN2
SCHEMBL7586067 0.76 EDNRA (1.00) EDNRAEDNRBTSHRRECQLSMN1; SMN2
SCHEMBL7589806 0.76 EDNRA (1.00) EDNRAEDNRBTSHRRECQLSMN1; SMN2

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-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 — — EP disclosed
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