SCHEMBL11516828

SCHEMBL11516828

CCCCCCCCCCCCc1ccccc1C[N+](C)(C)CCC(=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
DNM1 Q05193 2/20 0.43
CYSLTR2 Q9NS75 5/20 0.43
CYSLTR1 Q9Y271 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42

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
SCHEMBL11670679 0.93 BBOX1 (0.46) LIPGDNM1CYSLTR2CYSLTR1MEN1
SCHEMBL9648758 0.92 DNM1 (0.48) LIPGDNM1CYSLTR2CYSLTR1MEN1
SCHEMBL11670200 0.92 DNM1 (0.48) LIPGDNM1CYSLTR2CYSLTR1MEN1
SCHEMBL11669841 0.92 DNM1 (0.48) LIPGDNM1CYSLTR2CYSLTR1MEN1
Succinic Acid SCHEMBL7764855 0.87 DNM1 (0.54) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11670012 0.86 LIPG (0.46) LIPGCYSLTR2CYSLTR1BIDMCL1
Adipic Acid SCHEMBL7765950 0.86 DNM1 (0.53) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL11673409 0.85 BBOX1 (0.46) LIPGCYSLTR2CYSLTR1BIDMCL1
Propionic Acid SCHEMBL10939028 0.82 LIPG (0.47) LIPGCYSLTR2CYSLTR1BIDMCL1
Malonic Acid SCHEMBL7763547 0.82 DNM1 (0.54) DNM1MEN1KMT2ATP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4005029-A Laundering adjunct THE PROCTER & GAMBLE COMPANY (US) 1977-01-25 US claimed
US-4165334-A Detergent compounds and compositions THE PROCTER & GAMBLE COMPANY (US) 1979-08-21 US disclosed
US-4062647-A Clay-containing fabric softening detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1977-12-13 US disclosed
US-4051046-A ANTISTATIC AGENTS, SOFTENERS, WRINKLE RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 1977-09-27 US disclosed
US-4006092-A PEROXY COMPOUND, ALDEHYDE OR KETONE, VINYL POLYMER, BUFFER THE PROCTER & GAMBLE COMPANY (US) 1977-02-01 US disclosed
US-4005029-A Laundering adjunct THE PROCTER & GAMBLE COMPANY (US) 1977-01-25 US disclosed