SCHEMBL4208995

SCHEMBL4208995

CC(C=O)Cc1cccc2c1OCO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
EED O75530 2/20 0.39
MTNR1A P48039 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 2/20 0.38
GSK3B P49841 1/20 0.38
HTR2C P28335 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 2/20 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
SCHEMBL7416846 0.82 MTNR1A (0.44) KDM4CTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10148114 0.82 GABRA1 (0.47) KDM4CTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4826400 0.79 LMNA (0.44) KDM4CTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL394419 0.79 TAAR1 (0.58) TAAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL18462466 0.79 TAAR1 (0.42) KDM4CTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL30829414 0.78 TP53 (0.33) TAAR1SLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL29231330 0.78 TP53 (0.33) TAAR1SLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL2685950 0.76 NPSR1 (0.43) TAAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL2602430 0.76 EED (0.46) KDM4CEEDMTNR1AHTR2AGSK3B
SCHEMBL3098484 0.75 EED (0.43) KDM4CLMNAEEDMTNR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300590-B1 METHOD OF REDUCING VISCOSITY OF CONCENTRATED LIQUID CLEANSERS BY SELECTION OF PERFUME COMPONENTS UNILEVER PLC (GB) 2016-11-16 EP disclosed
US-20090312223-A1 Method of Controlling Structure and Rheology of Low Active Liquid Cleansers by Selecting Perfume Components CONOPCO, INC., D/B/A UNILEVER (US) 2009-12-17 US disclosed
US-20090312224-A1 Method of Reducing Viscosity of Concentrated Liquid Cleansers by Selection of Perfume Components CONOPCO, INC., D/B/A UNILEVER (US) 2009-12-17 US disclosed