SCHEMBL9562686

SCHEMBL9562686

CCOc1ccc(OC(=O)[C@H]2CC[C@H]([C@H]3CC[C@H](CC)CC3)CC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9562690 1.00 HPGD (0.43) HPGDSMN1; SMN2GLAPOLBGAA
SCHEMBL9562353 0.96 HPGD (0.46) HPGDSMN1; SMN2GLAPOLBGAA
SCHEMBL9562350 0.96 HPGD (0.46) HPGDSMN1; SMN2GLAPOLBGAA
SCHEMBL9562420 0.91 HPGD (0.37) HPGDSMN1; SMN2POLBMEN1KMT2A
SCHEMBL9562414 0.91 HPGD (0.37) HPGDSMN1; SMN2POLBMEN1KMT2A
SCHEMBL9406403 0.91 KMT2A (0.42) HPGDSMN1; SMN2POLBMEN1KMT2A
SCHEMBL9406407 0.91 KMT2A (0.42) HPGDSMN1; SMN2POLBMEN1KMT2A
SCHEMBL9562606 0.90 NPC1 (0.38) HPGDSMN1; SMN2POLBGAAMEN1
SCHEMBL9562602 0.90 NPC1 (0.38) HPGDSMN1; SMN2POLBGAAMEN1
SCHEMBL7910499 0.90 HPGD (0.42) HPGDSMN1; SMN2GLAPOLBGAA

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 4 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-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