SCHEMBL9799418

SCHEMBL9799418

CON(C)C(=O)N(CCCc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
AOC3 Q16853 1/20 0.44
PLAAT3 P53816 2/20 0.44
PLAAT5 Q96KN8 2/20 0.44
PLAAT2 Q9NWW9 2/20 0.44
PLAAT4 Q9UL19 2/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TSHR P16473 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCR5 P51681 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL11212858 0.88 FDPS (0.46) TAAR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11210893 0.87 AOC3 (0.46) AOC3ALDH1A1TSHRSIGMAR1
SCHEMBL9799301 0.86 PTGIR (0.51) PLAAT3PLAAT5PLAAT2PLAAT4TSHR
SCHEMBL9799416 0.86 CDK8 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL9799179 0.83 TACR1 (0.46) ALDH1A1MAPTMEN1KMT2AFFAR4
SCHEMBL6466553 0.72 AOC3 (0.47) AOC3KMT2ASIGMAR1
SCHEMBL9799411 0.72 RAB9A (0.53) TAAR1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL11300491 0.71 TAAR1 (0.79) TAAR1AOC3SIGMAR1KDM4E
SCHEMBL6584298 0.71 ALOX5 (0.56) TAAR1AOC3ALDH1A1MEN1KMT2A
SCHEMBL10635958 0.70 HTR3E (0.43) ALDH1A1MAPTSMN1; SMN2MEN1HPGD

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-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US claimed