SCHEMBL11678570

SCHEMBL11678570

O=C(O)C1=C(C(=O)Nc2ccc(F)cc2F)CCCC1.[LiH]

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.64
NR4A2 P43354 7/20 0.56
NR4A1 P22736 2/20 0.56
JMJD7 P0C870 1/20 0.56
NR4A3 Q92570 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL11680932 0.99 DHODH (0.66) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3918110 0.96 DHODH (0.70) DHODHNR4A2NR4A1JMJD7NR4A3
Trimethylammonium SCHEMBL11683474 0.93 DHODH (0.60) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL11230520 0.84 DHODH (0.79) DHODHNR4A2NR4A1JMJD7NR4A3
Lithium Ion SCHEMBL11678567 0.84 DHODH (0.50) DHODHNPC1RAB9APOLBMAPT
SCHEMBL11230959 0.84 NPSR1 (0.65) DHODHNR4A2NR4A1JMJD7NR4A3
Ammonia Solution, Strong SCHEMBL11680028 0.83 NPSR1 (0.64) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL253900 0.82 DHODH (0.80) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL18118644 0.80 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL11680309 0.79 DHODH (0.63) DHODHNR4A2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4003926-A Herbicidal 2-arylaminocarbonyl-1-cyclohexene-1-carboxylic acids and salts thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-18 US disclosed