SCHEMBL7603682

SCHEMBL7603682

Cc1cccc(C2C=Cc3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HTR2C P28335 3/20 0.38
ACHE P22303 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 1/20 0.35
NPC1 O15118 1/20 0.35
HPN P05981 1/20 0.35
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAOB P27338 1/20 0.33
SLC6A2 P23975 1/20 0.32
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL6285049 0.86 TACR1 (0.38) HTR2CACHEMEN1KMT2ASLC6A3
SCHEMBL28025980 0.84 TACR1 (0.38) HTR2CACHESLC6A3HTR2AHTR2B
SCHEMBL2830664 0.82 PRCP (0.39) HDAC4HTR2CACHEMEN1KMT2A
SCHEMBL1028466 0.79 HTR2A (0.39) HTR2CSLC6A3HTR2AHTR2BLMNA
SCHEMBL6131339 0.79 ALDH1A1 (0.37) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL8865153 0.79 GID4 (0.46) HTR2CACHEMEN1KMT2AHTR2A
SCHEMBL9145856 0.77 HTR2A (0.38) HTR2CSLC6A3HTR2AHTR2BLMNA
Ammonia Solution, Strong SCHEMBL21245914 0.77 HTR2A (0.38) HTR2CSLC6A3HTR2AHTR2BLMNA
Methane SCHEMBL28813011 0.77 HTR2A (0.38) HTR2CSLC6A3HTR2AHTR2BLMNA
SCHEMBL9145850 0.77 HTR2A (0.38) HTR2CSLC6A3HTR2AHTR2BLMNA

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-1144571-A3 AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES The Procter & Gamble Company (US) 2002-11-20 EP disclosed
EP-1144571-A2 AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES The Procter & Gamble Company (US) 2001-10-17 EP disclosed
WO-2000043473-A2 AQUEOUS HEAVY DUTY LIQUID DETERGENT COMPOSITIONS COMPRISING MODIFIED ALKYLBENZENE SULFONATES THE PROCTER & GAMBLE COMPANY (US) 2000-07-27 WO disclosed