SCHEMBL10638439

SCHEMBL10638439

COc1cc(C)c(OCCCC(C)(C)C(=O)Nc2ccc(/C=C/C(=O)O)cc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ PPARA Q07869 5/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ ACHE P22303 8/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TTR P02766 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C8 P10632 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLCO1B3 Q9NPD5 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CISD1 Q9NZ45 1/20 0.43
▸ SLCO1B1 Q9Y6L6 1/20 0.43
▸ BCHE P06276 6/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL10638443 1.00 KDM4E (0.47) KDM4EPPARATRPV1ACHESMN1; SMN2
SCHEMBL10635845 0.91 PPARA (0.42) KDM4EPPARATRPV1SMN1; SMN2TTR
SCHEMBL10635838 0.91 PPARA (0.42) KDM4EPPARATRPV1SMN1; SMN2TTR
SCHEMBL10640004 0.89 FDPS (0.53) KDM4EPPARATRPV1ACHETTR
SCHEMBL10640001 0.89 FDPS (0.53) KDM4EPPARATRPV1ACHETTR
SCHEMBL10641181 0.88 KDM4E (0.48) KDM4EPPARAHDAC1ALDH1A1HPGD
SCHEMBL10641174 0.88 KDM4E (0.48) KDM4EPPARAHDAC1ALDH1A1HPGD
SCHEMBL10638488 0.88 PPARA (0.60) KDM4EPPARASMN1; SMN2TTRCYP1A2
SCHEMBL10638480 0.88 PPARA (0.60) KDM4EPPARASMN1; SMN2TTRCYP1A2
SCHEMBL10635646 0.84 PPARA (0.40) KDM4EPPARAACHESMN1; SMN2TTR

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-0134337-B1 SUBSTITUTED 2,2-DIMETHYL-5-PHENOXYPENTANOIC ACID BENZAMIDES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-07 — — EP claimed
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