SCHEMBL8876973

SCHEMBL8876973

CCCC1(O)CC(C(F)(F)F)N(C(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
KLK7 P49862 8/20 0.37
KLK5 Q9Y337 7/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
SCN9A Q15858 1/20 0.36
PDK2 Q15119 1/20 0.36
BCHE P06276 1/20 0.35
NOTUM Q6P988 1/20 0.34
RORC P51449 4/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL6651006 0.75 KDM1A (0.61) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL6072792 0.73 NOTUM (0.46) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL7154077 0.69 KDM1A (0.62) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL6649116 0.69 KDM1A (0.62) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL16178518 0.67 KDM1A (0.43) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL16178519 0.67 KDM1A (0.43) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL16188078 0.67 KDM1A (0.43) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL16188084 0.67 KDM1A (0.43) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL16188058 0.67 KDM1A (0.43) KDM1ASCN9APDK2BCHENOTUM
SCHEMBL6364363 0.67 KDM1A (0.45) KDM1ASCN9APDK2BCHENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed