SCHEMBL11397191

SCHEMBL11397191

CCCCc1ccccc1C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
LIPG Q9Y5X9 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
FOLH1 Q04609 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10607543 0.87 ALDH1A1 (0.43) CYSLTR2CYSLTR1KMT2AALDH1A1BID
SCHEMBL2567958 0.83 TSHR (0.47) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL1404026 0.83 TSHR (0.47) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL10276952 0.83 CLCN2 (0.43) TSHRHTTKMT2ATP53ALDH1A1
SCHEMBL4929020 0.82 NAAA (0.48) CYSLTR2CYSLTR1KMT2AMAPK1ALDH1A1
SCHEMBL10895947 0.82 KMT2A (0.41) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL2171647 0.81 TSHR (0.46) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL165530 0.81 FOLH1 (0.61) TSHRKMT2ATP53CYP3A4MAPK1
SCHEMBL1131361 0.81 TSHR (0.46) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL10895958 0.81 KMT2A (0.40) TSHRLIPGHTTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107455-A1 PARTICLES FOR MALODOR REDUCTION THE PROCTER & GAMBLE COMPANY 2017-04-20 US claimed
US-4283534-A Reductive alkylation of nitrogen heterocycles BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed