SCHEMBL3663713

SCHEMBL3663713

O=C(OCSc1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 5/20 0.41
CES1 P23141 3/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL6535462 0.79 FFAR1 (0.43) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL10401993 0.79 FFAR1 (0.54) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL10401991 0.77 FFAR1 (0.52) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL6535141 0.76 FFAR1 (0.47) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL6248478 0.76 ALDH1A1 (0.52) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL16104933 0.74 TDP1 (0.55) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL27166998 0.73 FFAR1 (0.47) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL9734951 0.73 HSP90AA1 (0.35) ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL10814768 0.72 FFAR1 (0.61) FFAR1ALDH1A1CES1MAPK1NPC1
SCHEMBL3296385 0.72 ALDH1A1 (0.57) ALDH1A1CES1MAPK1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-207671961-U A kind of Peptide systhesis device 润辉生物技术(威海)有限公司 2018-07-31 CN disclosed
CN-207596765-U A kind of peptide resin cuts Suction filtration device 润辉生物技术(威海)有限公司 2018-07-10 CN disclosed
EP-2231198-A2 IMAGING DYES AND USE THEREOF Dublin City University (IE) 2010-09-29 EP disclosed
WO-2009078000-A2 IMAGING DYES AND USE THEREOF DUBLIN CITY UNIVERSITY (IE) 2009-06-25 WO disclosed