SCHEMBL9255242

SCHEMBL9255242

[CH2]CCCc1cccc(OCCCC)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 10/20 0.55
▸ PPARA Q07869 3/20 0.54
▸ PPARG P37231 2/20 0.54
▸ KCNH2 Q12809 2/20 0.51
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ DHFR P00374 1/20 0.48
▸ TSHR P16473 1/20 0.47

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
SCHEMBL7349698 0.95 PPARA (0.56) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL3035008 0.94 PPARA (0.58) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL9172207 0.94 PPARA (0.50) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL9827395 0.92 CYP2D6 (0.53) CYP2D6PPARAPPARGKCNH2DHFR
SCHEMBL8927722 0.91 PPARA (0.62) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL8778537 0.91 PPARA (0.58) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL3021697 0.89 PPARA (0.60) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL3031825 0.89 PPARA (0.60) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL9579218 0.89 PPARA (0.60) CYP2D6PPARAPPARGKCNH2CNR1
SCHEMBL7854103 0.89 PPARA (0.60) CYP2D6PPARAPPARGKCNH2CNR1

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
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 — — US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 — — EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 — — US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 — — EP disclosed
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