SCHEMBL11544353

SCHEMBL11544353

CC(C)[CH]C(C#N)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 2/20 0.47
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 1/20 0.38
AKR1C3 P42330 1/20 0.38
ATM Q13315 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CASR P41180 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
NPY5R Q15761 1/20 0.36
GLI1 P08151 1/20 0.36
GLI2 P10070 1/20 0.36
TLR4 O00206 1/20 0.36

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
SCHEMBL1101149 0.82 PTGS1 (0.49) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL24106552 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL7035268 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL31542598 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL15978566 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11259635 0.79 TLR4 (0.48) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10866556 0.79 PTGS1 (0.43) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL15977323 0.77 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL24106462 0.77 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL9664012 0.76 ALOX5 (0.55) PTGS1MEN1CYP2D6KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4164415-A Branched alkyl-2-naphthaleneacetic acids as herbicides and insecticide intermediates AMERICAN CYANAMID CO. (US) 1979-08-14 US disclosed
US-4088782-A Substituted-benzyl α-C1 -C4 alkyl-2-naphthaleneacetates as insecticidal agents AMERICAN CYANAMID COMPANY (US) 1978-05-09 US disclosed
US-4046799-A INSECTICIDES AMERICAN CYANAMID COMPANY (US) 1977-09-06 US disclosed