SCHEMBL11307012

SCHEMBL11307012

CCC(c1cccc(Oc2ccccc2)c1)C(C(=O)O)(C(C)C)C(C)C=C(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
EPOR P19235 1/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 2/20 0.37
GLI1 P08151 1/20 0.37
GLI2 P10070 1/20 0.37
ADRA2A P08913 1/20 0.37
CNR1 P21554 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
AKR1C3 P42330 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
SCHEMBL11298252 0.92 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11304629 0.87 PTGS1 (0.50) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11305190 0.86 PTGS1 (0.49) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11335209 0.82 PTGS1 (0.45) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11301973 0.82 TDP1 (0.46) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11303519 0.81 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11298051 0.81 TDP1 (0.44) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11306511 0.79 ALDH1A1 (0.44) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11305007 0.76 TDP1 (0.46) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11300851 0.75 TDP1 (0.46) 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 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