SCHEMBL9405772

SCHEMBL9405772

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
CYP2C9 P11712 1/20 0.36
ACACB O00763 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SCN9A Q15858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 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
SCHEMBL9405776 1.00 HPGD (0.38) HPGDCYP2C9ACACBMEN1KMT2A
SCHEMBL9405805 0.96 HPGD (0.36) HPGDCYP2C9ACACBMEN1KMT2A
SCHEMBL9405804 0.96 HPGD (0.36) HPGDCYP2C9ACACBMEN1KMT2A
SCHEMBL9406159 0.94 PTGES (0.39) HPGDCYP2C9MEN1KMT2ARAB9A
SCHEMBL9406156 0.94 PTGES (0.39) HPGDCYP2C9MEN1KMT2ARAB9A
SCHEMBL9562765 0.93 MAPT (0.41) HPGDACACBKMT2ARAB9AMAPT
SCHEMBL9406069 0.93 CNR1 (0.37) HPGDMAPTGAA
SCHEMBL9406066 0.93 CNR1 (0.37) HPGDMAPTGAA
SCHEMBL9562771 0.93 MAPT (0.41) HPGDACACBKMT2ARAB9AMAPT
SCHEMBL7907302 0.92 HPGD (0.44) HPGDCYP2C9MEN1KMT2ARAB9A

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 7 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-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
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