SCHEMBL9562338

SCHEMBL9562338

CCCOc1ccc(OC(=O)[C@H]2CC[C@H](CC)CC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
POLB P06746 1/20 0.35
CYP19A1 P11511 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACACB O00763 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.33
CA9 Q16790 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
SCHEMBL9562340 1.00 HPGD (0.39) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL9562420 0.96 HPGD (0.37) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL9562414 0.96 HPGD (0.37) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL9562422 0.94 HPGD (0.38) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL9562427 0.94 HPGD (0.38) HPGDMEN1KMT2ARAB9AL3MBTL1
SCHEMBL9562496 0.91 CNR1 (0.39) HPGDMEN1KMT2AMAPTNPC1
SCHEMBL9561935 0.91 CNR1 (0.39) HPGDMEN1KMT2AMAPTNPC1
SCHEMBL9562500 0.91 CNR1 (0.39) HPGDMEN1KMT2AMAPTNPC1
SCHEMBL9561936 0.91 CNR1 (0.39) HPGDMEN1KMT2AMAPTNPC1
SCHEMBL9405772 0.91 HPGD (0.38) HPGDMEN1KMT2ARAB9AL3MBTL1

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