SCHEMBL4448249

SCHEMBL4448249

C=CCN(Cc1ccccc1)C(O)CC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 1/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RIPK1 Q13546 1/20 0.36
NPBWR1 P48145 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL4432874 0.84 TSHR (0.46) GAANPC1RAB9ACA12CA9
SCHEMBL9380682 0.81 LMNA (0.46) GAANPC1RAB9ATRPA1TSHR
SCHEMBL668944 0.80 SIGMAR1 (0.42) GAATSHRALDH1A1HPGDNPBWR1
Bromide SCHEMBL728361 0.78 SIGMAR1 (0.41) GAATSHRALDH1A1HPGDNPBWR1
Hydrochloric Acid SCHEMBL4558480 0.78 SIGMAR1 (0.41) GAATSHRALDH1A1LMNAHPGD
SCHEMBL38834 0.77 BCHE (0.34) GAATSHRALDH1A1TP53
SCHEMBL2733646 0.76 TSHR (0.30) TSHR
SCHEMBL8222154 0.76 SLC15A1 (0.39) GAATRPA1TSHRALDH1A1HPGD
SCHEMBL465333 0.73 ALDH1A1 (0.46) NPC1RAB9ACA12CA9TRPA1
SCHEMBL8699772 0.72 ADRA2B (0.53) NPC1RAB9ACA12CA9TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855648-B1 IMPROVEMENTS RELATING TO FABRIC CONDITIONERS UNILEVER PLC (GB) 2015-12-02 EP disclosed
EP-1922397-B1 FABRIC CONDITIONING COMPOSITION UNILEVER PLC (GB) 2013-12-25 EP disclosed
US-20090036346-A1 Fabric Conditioning Composition Henkel IP & Holding GmbH (DE) 2009-02-05 US disclosed
EP-1922397-A1 FABRIC CONDITIONING COMPOSITION Unilever Plc (GB) 2008-05-21 EP disclosed
WO-2007028495-A1 FABRIC CONDITIONING COMPOSITION UNILEVER PLC (GB) 2007-03-15 WO disclosed