SCHEMBL8089112

SCHEMBL8089112

CCCC(O)C=CC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL8090946 0.88 ACHE (0.58) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL8089121 0.86 TRPA1 (0.56) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL719805 0.82
SCHEMBL2545649 0.80 ACHE (0.58) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1786710 0.80 ACHE (0.44) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL9074798 0.80 CHRM1 (0.36) ACHEBACE1MAPTALDH1A1CHRM1
SCHEMBL1786712 0.80 ACHE (0.44) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL1941417 0.80 ACHE (0.58) ACHEBACE1MAPTTRPA1DDAH1
Methyl Alcohol SCHEMBL4653215 0.78 ACHE (0.56) ACHEBACE1MAPTTRPA1DDAH1
SCHEMBL3230819 0.78 ALDH1A1 (0.36) ACHEBACE1MAPTALDH1A1CHRM1

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
EP-0758361-B1 POLYMERISABLE COMPOSITION AND THE USE THEREOF NOVARTIS AG (CH) 2000-11-15 EP disclosed
US-5852126-A Polymerisable composition and the use thereof NOVARTIS AG (CH) 1998-12-22 US disclosed
US-4009195-A FROM 1-ALKENES AND ACRYLIC ACID DERIVATIVES ROHM AND HAAS COMPANY (US) 1977-02-22 US disclosed
US-3994958-A OF 1-ALKENES AND ACRYLIC ACID DERIVATIVES ROHM AND HAAS COMPANY (US) 1976-11-30 US disclosed
US-3968148-A Copolymers of 1-alkenes and acrylic acid derivatives ROHM AND HAAS COMPANY (US) 1976-07-06 US disclosed