SCHEMBL9799301

SCHEMBL9799301

CON(C)C(=O)N(CCCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.51
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
FDPS P14324 1/20 0.41
TSHR P16473 1/20 0.40
DRD4 P21917 1/20 0.40
PPARG P37231 2/20 0.40
RAB9A P51151 2/20 0.40
PPARA Q07869 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
PAX8 Q06710 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 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
SCHEMBL11210893 0.91 AOC3 (0.46) SIGMAR1TSHR
SCHEMBL9799416 0.86 CDK8 (0.43) PTGIRSIGMAR1TSHRPLAAT3PLAAT5
SCHEMBL9799418 0.86 TAAR1 (0.46) PTGIRTMEM97SIGMAR1TSHRPLAAT3
SCHEMBL11212858 0.81 FDPS (0.46) FDPSRAB9ANPC1JAK2PAX8
SCHEMBL9799179 0.76 TACR1 (0.46) SIGMAR1TSHRHDAC1HDAC6
SCHEMBL6466553 0.75 AOC3 (0.47) SIGMAR1
SCHEMBL11673402 0.75 RAB9A (0.47) TSHRRAB9APKM
SCHEMBL5321740 0.74 ALOX5 (0.55) FDPSTSHRPPARGRAB9APPARA
Iodide SCHEMBL5681772 0.71 PTGIR (0.47) PTGIRTMEM97SIGMAR1HDAC1PLAAT3
SCHEMBL3881364 0.70 ALOX5 (0.51) FDPSPPARGRAB9APPARAPKM

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