SCHEMBL10589263

SCHEMBL10589263

CCC[C@H]1CC[C@H](C2CCCCC2)CC1.O=C(O)Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 2/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
HTR2A P28223 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.36
CYP2C9 P11712 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
SCHEMBL10588082 0.92 PPARG (0.40) KLK7KDM4EHPGDFAAHPPARG
SCHEMBL10431829 0.86 KMT2A (0.45) HPGDKMT2ACYP2C9
SCHEMBL10429835 0.83 THRB (0.48) HPGDEPHX2CYP2C9
SCHEMBL10511386 0.83 HPGD (0.37) KLK7KDM4EHPGDKMT2AEPHX2
SCHEMBL5352569 0.82 KMT2A (0.46) KMT2AFAAHPOLBELANECYP2C9
SCHEMBL10802459 0.82 KMT2A (0.46) KMT2AFAAHPOLBELANECYP2C9
SCHEMBL5352566 0.82 KMT2A (0.46) KMT2AFAAHPOLBELANECYP2C9
SCHEMBL5352575 0.82 KMT2A (0.46) KMT2AFAAHPOLBELANECYP2C9
SCHEMBL9359076 0.81 MAPT (0.38) KLK7FAAHEPHX2CYP2C9
SCHEMBL10431631 0.80 MEN1 (0.43) HPGDKMT2APPARGCYP2C9

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
EP-0332005-A1 Supertwist liquid-crystal display MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed