SCHEMBL2335296

SCHEMBL2335296

CC(O)NC(C)O.[CH2]CCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
EPHX1 P07099 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11618911 1.00 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL11623479 0.82 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL3790141 0.82 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL2727202 0.82 SPHK1 (0.39) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL8907348 0.81 SPHK1 (0.52) SPHK1MEN1KMT2ATSHRTHRB
Pentane SCHEMBL6882146 0.80 TSHR (0.44) SPHK1MEN1KMT2ATSHRFAAH
SCHEMBL28324644 0.77
SCHEMBL28330454 0.77 TSHR (0.53) MEN1KMT2ATSHRTHRBLMNA
SCHEMBL158879 0.77 TSHR (0.61) MEN1KMT2ATSHRTHRBLMNA
SCHEMBL1874289 0.77 TSHR (0.61) MEN1KMT2ATSHRTHRBLMNA

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
CN-102946736-B Aqueous herbicidal concentrates of auxinic carboxylic acids with reduced eye irritation 陶氏益农公司 2018-04-13 CN disclosed
CN-103763923-B 3-alkoxy-4-amino-6- (substituted) picolinates, 3-thioalkyl-4-amino-6- (substituted) picolinates, and 3-amino-4-amino-6- (substituted) picolinates and their use as herbicides 陶氏益农公司 2016-08-17 CN disclosed
CN-102946736-A Aqueous herbicidal concentrates of auxinic carboxylic acids with reduced eye irritation DOW AGROSCIENCES LLC 2013-02-27 CN disclosed
EP-2358201-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-08-24 EP disclosed
WO-2010069880-A2 THIOPHENE, FURAN AND PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2010-06-24 WO disclosed