SCHEMBL9562707

SCHEMBL9562707

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
HPGD P15428 4/20 0.40
NPC1 O15118 1/20 0.40
PDE4B Q07343 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
GRK6 P43250 1/20 0.38
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
CYP19A1 P11511 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
SCHEMBL9562711 1.00 POLB (0.45) POLBHPGDNPC1PDE4BMEN1
SCHEMBL9562374 0.96 POLB (0.45) POLBHPGDNPC1PDE4BMEN1
SCHEMBL9562372 0.96 POLB (0.45) POLBHPGDNPC1PDE4BMEN1
SCHEMBL9406407 0.94 KMT2A (0.42) POLBHPGDMEN1KMT2AL3MBTL1
SCHEMBL9406403 0.94 KMT2A (0.42) POLBHPGDMEN1KMT2AL3MBTL1
SCHEMBL12742034 0.92 POLB (0.40) POLBHPGDNPC1PDE4BMEN1
SCHEMBL12737154 0.92 POLB (0.40) POLBHPGDNPC1PDE4BMEN1
SCHEMBL9562624 0.89 POLB (0.43) POLBHPGDNPC1PDE4BMEN1
SCHEMBL9562631 0.89 POLB (0.43) POLBHPGDNPC1PDE4BMEN1
SCHEMBL9562350 0.89 HPGD (0.46) POLBHPGDMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US claimed
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed
EP-0332007-B1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1992-11-25 EP disclosed
EP-0373186-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK PATENT GmbH (DE) 1990-06-20 EP disclosed
WO-1989008637-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332007-A1 Derivatives of 2,3-difluorohydroquinone MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed