SCHEMBL10469461

SCHEMBL10469461

CC(/C=C/CO)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.37
▸ BACE1 P56817 1/20 0.34
▸ SCN9A Q15858 4/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL10469462 1.00 PPARG (0.37) PPARGBACE1SCN9AFPR2ALDH1A1
SCHEMBL9473334 0.88 CYP1A2 (0.43) SCN9AFPR2ALDH1A1TP53CYP1A2
SCHEMBL9473327 0.88 CYP1A2 (0.43) SCN9AFPR2ALDH1A1TP53CYP1A2
SCHEMBL10470232 0.86 HTT (0.46) PPARGSCN9AFPR2ALDH1A1TP53
SCHEMBL10470231 0.86 HTT (0.46) PPARGSCN9AFPR2ALDH1A1TP53
SCHEMBL11010535 0.82 L3MBTL1 (0.38) PPARGBACE1SCN9AFPR2ALDH1A1
SCHEMBL10838863 0.78 CYP1A2 (0.43) PPARGSCN9AFPR2ALDH1A1TP53
SCHEMBL9587752 0.77 MAPT (0.45) PPARGBACE1SCN9AFPR2ALDH1A1
Hydrochloric Acid SCHEMBL10947196 0.77 CYP1A2 (0.43) PPARGSCN9AFPR2ALDH1A1TP53
SCHEMBL10915307 0.76 TSHR (0.46) SCN9AALDH1A1TP53CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900354-A CONTROLLING GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-02-13 — — US claimed
US-4976772-A POSTEMERGENT CONTROL OF GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-12-11 — — US disclosed
US-4900354-A CONTROLLING GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-02-13 — — US disclosed
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