SCHEMBL9562372

SCHEMBL9562372

CC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.41
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
PDE4B Q07343 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
GRK6 P43250 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 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
SCHEMBL9562374 1.00 POLB (0.45) POLBNPC1HPGDALDH1A1PKM
SCHEMBL9562711 0.96 POLB (0.45) POLBNPC1HPGDALDH1A1PKM
SCHEMBL9562707 0.96 POLB (0.45) POLBNPC1HPGDALDH1A1PKM
SCHEMBL9406407 0.91 KMT2A (0.42) POLBHPGDHTTMEN1KMT2A
SCHEMBL9406403 0.91 KMT2A (0.42) POLBHPGDHTTMEN1KMT2A
SCHEMBL9562598 0.90 POLB (0.44) POLBNPC1HPGDALDH1A1PKM
SCHEMBL9562595 0.90 POLB (0.44) POLBNPC1HPGDALDH1A1PKM
SCHEMBL9562686 0.90 HPGD (0.43) POLBHPGDMEN1KMT2AL3MBTL1
SCHEMBL9562690 0.90 HPGD (0.43) POLBHPGDMEN1KMT2AL3MBTL1
SCHEMBL12737154 0.88 POLB (0.40) POLBNPC1HPGDALDH1A1PDE4B

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