SCHEMBL10470786

SCHEMBL10470786

CCC=C(CCC)c1cc(=O)c2cccc(CC(=O)O)c2o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.45
▸ STING1 Q86WV6 1/20 0.45
▸ GPR35 Q9HC97 8/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL27683944 0.79 GPR35 (0.40) GPR35CYSLTR2CYSLTR1KDM4E
SCHEMBL9163251 0.75 STING1 (0.58) GLASTING1GPR35CYP2D6KDM4E
SCHEMBL8117421 0.72 GPR35 (0.46) GPR35CYP2D6CYSLTR2CYSLTR1KDM4E
SCHEMBL7082942 0.70 CYP2D6 (0.52) CYP2D6CYSLTR2CYSLTR1
SCHEMBL7082924 0.70 CYP2D6 (0.52) CYP2D6CYSLTR2CYSLTR1
Mitoflaxone SCHEMBL106705 0.70 CYP1A2 (0.62) GLASTING1CYP2D6CYSLTR1KDM4E
SCHEMBL10966059 0.70 MAOB (0.47) GPR35CYP2D6CYSLTR2CYSLTR1RECQL
SCHEMBL8121513 0.70 GPR35 (0.49) GPR35CYP2D6KDM4ERECQL
SCHEMBL28290284 0.69 GPR35 (0.59) GPR35KDM4E
SCHEMBL7087329 0.69 CYP1A2 (0.56) GLASTING1CYP2D6CYSLTR1KDM4E

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
US-4904690-A Chromone derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-27 — — US disclosed
EP-0283761-A1 Chromone derivatives Takeda Chemical Industries, Ltd. (JP) 1988-09-28 — — EP disclosed
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