SCHEMBL9406403

SCHEMBL9406403

CC[C@H]1CC[C@H](C(=O)Oc2ccc(OC(=O)[C@H]3CC[C@H](CC)CC3)c(F)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.40
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9406407 1.00 KMT2A (0.42) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562711 0.94 POLB (0.45) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562707 0.94 POLB (0.45) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562350 0.94 HPGD (0.46) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562353 0.94 HPGD (0.46) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562686 0.91 HPGD (0.43) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562374 0.91 POLB (0.45) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562338 0.91 HPGD (0.39) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562340 0.91 HPGD (0.39) KMT2AMEN1L3MBTL1RAB9AHPGD
SCHEMBL9562372 0.91 POLB (0.45) KMT2AMEN1L3MBTL1RAB9AHPGD

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-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed