SCHEMBL6811026

SCHEMBL6811026

CCCCCCCCCCCCCCCCCCOC(=O)C(C)=CC(C)N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
NAAA Q02083 1/20 0.44
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
FAAH O00519 3/20 0.42
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CES2 O00748 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1293247 0.93 ALDH1A1 (0.47) TSHRNAAAHCAR2NPSR1FAAH
SCHEMBL27615445 0.87 TSHR (0.56) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL9113428 0.86 HCAR2 (0.36) TSHRHCAR2FAAHALDH1A1
SCHEMBL28421749 0.85 TSHR (0.54) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL17222436 0.85 TSHR (0.54) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28215007 0.84 TSHR (0.53) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28123628 0.83 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL29256090 0.83 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL28124145 0.83 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL11562931 0.83 TSHR (0.51) TSHRNAAAHCAR2RAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6733538-B1 COMPOSITION COMPRISING SURFACTANT, DYE MAINTENANCE COPOLYMER INCLUDING VINYLFORMAMIDE UNITS AND HAVING NET CATIONIC CHARGE, CARRIERS AND OTHER ADJUNCT INGREDIENTS; PREVENTS FADING THE PROCTER & GAMBLE COMPANY 2004-05-11 US disclosed