SCHEMBL9525970

SCHEMBL9525970

CCCOc1cccc(C(C)O)c1OCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ HTR1A P08908 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL8557526 0.80 LMNA (0.62) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL16957293 0.79 CHRM2 (0.39) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL23558619 0.78 ALDH1A1 (0.48) ALOX15LMNAL3MBTL1MAPTMEN1
SCHEMBL12518598 0.77 LMNA (0.40) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL13320404 0.77 SMN1; SMN2 (0.55) ALOX15LMNATSHRL3MBTL1SMN1; SMN2
SCHEMBL8733422 0.76 CYP1A2 (0.53) CHRM2LMNAL3MBTL1MAPTNPSR1
SCHEMBL13391640 0.75 ALOX15 (0.40) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL1837129 0.75 LMNA (0.49) CHRM2ALOX15LMNACHRM1TSHR
SCHEMBL23095838 0.75 PPARG (0.46) LMNAL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL2043221 0.75 CHRM2 (0.49) CHRM2ALOX15LMNACHRM1TSHR

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-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 — — EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 — — WO disclosed
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