SCHEMBL4806935

SCHEMBL4806935

CC(C)CC(C)c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1N

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4808477 0.99 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4807146 0.99 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4807725 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4807043 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9861471 0.80 MLYCD (0.33)
SCHEMBL4804780 0.79 NOS2 (0.32) ALDH1A1
SCHEMBL4809780 0.77
SCHEMBL5958674 0.73 CYP3A4 (0.43) ALDH1A1
SCHEMBL4811208 0.72 USP2 (0.32) ALDH1A1
SCHEMBL4811741 0.72 ALDH1A1 (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