SCHEMBL11301049

SCHEMBL11301049

CC(C)C(C(=O)O)(C(C#N)c1cccc(Oc2ccccc2)c1)C(C=C(Cl)Cl)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGS1 P23219 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 2/20 0.41
EGLN2 Q96KS0 2/20 0.35
ATM Q13315 2/20 0.34
CASP1 P29466 1/20 0.34
AKR1C3 P42330 1/20 0.34
EPOR P19235 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPY5R Q15761 1/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
LMNA P02545 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
SCHEMBL11306956 0.91 TDP1 (0.44) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11300851 0.90 TDP1 (0.46) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11302282 0.89 TDP1 (0.45) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11305007 0.89 TDP1 (0.46) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11301973 0.89 TDP1 (0.46) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11303512 0.87 TDP1 (0.45) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11299862 0.86 TDP1 (0.44) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11312538 0.86 ALDH1A1 (0.44) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11306511 0.85 ALDH1A1 (0.44) TDP1ALDH1A1PTGS1MEN1CYP2D6
SCHEMBL11305606 0.85 PTGS1 (0.41) TDP1ALDH1A1PTGS1MEN1CYP2D6

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-4291057-A INSECTICIDES AND MITICIDES UNION CARBIDE CORPORATION (US) 1981-09-22 US disclosed