SCHEMBL11301530

SCHEMBL11301530

CCCCc1cc(CCCC)cc(C(=O)N(CC(=O)OCC)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ GPR84 Q9NQS5 2/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PSMB5 P28074 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34

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
SCHEMBL11303227 0.92 PSMB5 (0.37) PSMB5F10
SCHEMBL11301861 0.90 GPR84 (0.33) GPR84CYP4F2CYP4A11HPGDPSMB5
SCHEMBL11297218 0.84 F10 (0.34) MAPK1PSMB5F10KDM4EALDH1A1
SCHEMBL11294051 0.84 SLC7A5 (0.38) HPGDNPSR1NPC1MAPK1HTT
SCHEMBL11339619 0.83 CNR2 (0.33) HPGDNPC1RAB9APSMB5F10
SCHEMBL11296572 0.82 PSMB5 (0.35) PSMB5ALDH1A1
SCHEMBL11293873 0.81 TAS1R3 (0.38) HPGDNPSR1MAPK1HTTKDM4E
SCHEMBL11294344 0.80 CYP4F2 (0.43) PPARAPPARGCYP4F2CYP4A11HPGD
SCHEMBL11211541 0.79 SLC6A2 (0.39) HPGDNPSR1F10KDM4EALDH1A1
SCHEMBL11294159 0.78 PSMB5 (0.32) PPARAPPARGPSMB5ALDH1A1

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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