SCHEMBL4804780

SCHEMBL4804780

COC(c1ccc(N)c(C(C)CC(C)C)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.32
RORC P51449 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4807043 0.82 ALDH1A1 (0.33) RORCALDH1A1
SCHEMBL4807725 0.82 ALDH1A1 (0.33) RORCALDH1A1
SCHEMBL4806935 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4808477 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4807146 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4811208 0.71 USP2 (0.32) ALDH1A1
SCHEMBL4811741 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7089523 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4808885 0.70 SCN10A (0.32) NOS2RORC
SCHEMBL4799932 0.69 SLC6A4 (0.33) ALDH1A1

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
WO-2012021578-A8 USE OF ANGIOTENSIN- II (1-7) IN CELL TRANSPLANTATION AND AS AN AGENT FOR PREVENTING/TREATING NOROVIRUS INFECTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-10 WO disclosed
EP-1400516-B1 SUBSTITUTED ANILIDE DERIVATIVES, INTERMEDIATES THEREOF, AGRICULTURAL AND HORTICULTURAL CHEMICALS, AND THEIR USAGE NIHON NOHYAKU CO LTD (JP) 2011-12-07 EP disclosed
US-7459477-B2 Substituted N-phenyl-phenoxy nicotinic acid-(thio)amides and their use as herbicides NIHON NOHYAKU, CO., LTD. (JP) 2008-12-02 US disclosed
US-20040116744-A1 Substituted n-phenyl-phenoxy nicotinic acid-(thio)amides and their use as herbicides NIHON NOHYAKU CO., LTD. (JP) 2004-06-17 US disclosed
EP-1400516-A1 SUBSTITUTED ANILIDE DERIVATIVES, INTERMEDIATES THEREOF, AGRICULTURAL AND HORTICULTURAL CHEMICALS, AND THEIR USAGE Nihon Nohyaku Co., Ltd. (JP) 2004-03-24 EP disclosed