SCHEMBL11076196

SCHEMBL11076196

O=[N+]([O-])CCCCCCCCc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
MPO P05164 3/20 0.45
SLC6A4 P31645 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44
BID P55957 4/20 0.43
MCL1 Q07820 4/20 0.43
BCL2L1 Q07817 3/20 0.43
BAK1 Q16611 3/20 0.43
HSPA5 P11021 1/20 0.41
IAPP P10997 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
AKR1B1 P15121 1/20 0.40
KAT8 Q9H7Z6 2/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL28960080 1.00 MGLL (0.53) MGLLMPOSLC6A4TAAR1BID
SCHEMBL5183966 0.98 MGLL (0.50) MGLLMPOSLC6A4TAAR1BID
SCHEMBL28671608 0.93 MGLL (0.47) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL6030691 0.85 CYP3A4 (0.51) MGLLMPOTAAR1HSPA5CYP1A2
SCHEMBL8401990 0.81 MGLL (0.66) MGLLMPOSLC6A4TAAR1BID
SCHEMBL8400524 0.81 MGLL (0.66) MGLLMPOSLC6A4TAAR1BID
SCHEMBL8398317 0.81 MGLL (0.66) MGLLMPOSLC6A4TAAR1BID
SCHEMBL8402231 0.81 MGLL (0.66) MGLLMPOSLC6A4TAAR1BID
SCHEMBL8401980 0.81 MGLL (0.66) MGLLMPOSLC6A4TAAR1BID
SCHEMBL28176757 0.81 MGLL (0.66) MGLLMPOSLC6A4TAAR1BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442092-A APPLYING TO SOILS GREENBELT DEHYDRATING CO., INC. 1984-04-10 US disclosed
US-4282168-A FUNGICIDES PPG INDUSTRIES, INC. (US) 1981-08-04 US disclosed
US-4213915-A FUNGICIDES, NEMATOCIDES PPG INDUSTRIES, INC. (US) 1980-07-22 US disclosed
US-4132800-A NEMATOCIDES FOR PLANTS PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4132801-A Control of plant fungi with S-p-methoxyphenyl N-2,3-dibromopropylthiolcarbamate PPG INDUSTRIES, INC. (US) 1979-01-02 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4117155-A APPLYING FUNGICIDE TO SOIL PPG INDUSTRIES, INC. (US) 1978-09-26 US disclosed
US-4075006-A PESTICIDES, NEMATOCIDES, FUNGICIDES PPG INDUSTRIES, INC. (US) 1978-02-21 US disclosed
US-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 US disclosed
US-4056549-A PLANT PESTICIDE PPG INDUSTRIES, INC. (US) 1977-11-01 US disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4046912-A S-p-Methoxyphenyl N-2,3-dibromopropylthiolcarbamate and its use in the control of plant nematodes PPG INDUSTRIES, INC. (US) 1977-09-06 US disclosed