SCHEMBL4806372

SCHEMBL4806372

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL4811208 0.76 USP2 (0.32)
SCHEMBL4808477 0.69 ALDH1A1 (0.30)
SCHEMBL4807146 0.69 ALDH1A1 (0.30)
SCHEMBL4807043 0.68 ALDH1A1 (0.33)
SCHEMBL4807725 0.68 ALDH1A1 (0.33)
SCHEMBL4811741 0.68 ALDH1A1 (0.33)
SCHEMBL4806935 0.68 ALDH1A1 (0.31)
SCHEMBL4809780 0.68
SCHEMBL7089523 0.67 ALDH1A1 (0.38) RECQL
SCHEMBL19901307 0.67 KDM4E (0.33) CYP1A2CYP2C9CYP2C19RECQL

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