SCHEMBL11300765

SCHEMBL11300765

CCOCCOC(=O)CN(C(=O)c1cccc(CC(C)C)c1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEP1B Q16820 2/20 0.37
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ SLC7A5 Q01650 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 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
SCHEMBL11299074 0.82 PPARG (0.41) PPARGSMN1; SMN2MEP1BCYP4F2CYP4A11
SCHEMBL11296572 0.81 PSMB5 (0.35) SMN1; SMN2ALDH1A1MMP3TSHR
SCHEMBL11296820 0.80 PPARG (0.41) PPARGCYP4F2CYP4A11
SCHEMBL11294344 0.80 CYP4F2 (0.43) PPARGSMN1; SMN2CYP4F2CYP4A11NPC1
SCHEMBL11301861 0.79 GPR84 (0.33) CYP4F2CYP4A11ALDH1A1MMP3TSHR
SCHEMBL11297218 0.78 F10 (0.34) SMN1; SMN2MEP1BSLC7A5ALDH1A1ALOX15
SCHEMBL11300191 0.77 F10 (0.34) SMN1; SMN2ALDH1A1MMP3MEN1KMT2A
SCHEMBL11294159 0.76 PSMB5 (0.32) PPARGALDH1A1
SCHEMBL11296873 0.75 TDP1 (0.52) SMN1; SMN2NPC1LMNARAB9AALDH1A1
SCHEMBL15592779 0.74 NPC1 (0.43) PPARGSMN1; SMN2MEP1BCYP4F2CYP4A11

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
US-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 — — US disclosed
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