SCHEMBL9485380

SCHEMBL9485380

CCCCCCCCCCOc1ccccc1C1(OCCCCCCCCCC)C=CC(C(=O)O)C=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
PLA2G4B P0C869 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL10340810 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9484781 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9485533 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9640129 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9486045 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL8374332 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9485458 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL9650375 1.00 MEN1 (0.45) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL8914105 0.93 MEN1 (0.40) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL8018834 0.91 MEN1 (0.38) MEN1KMT2ANR1I2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358741-B1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
EP-0332006-B1 SMECTIC LIQUID-CRYSTAL COMPOSITION MERCK PATENT GmbH (DE) 1993-01-13 EP 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
EP-0362317-A1 SMECTIC LIQUID CRYSTAL MEDIUM MERCK PATENT GmbH (DE) 1990-04-11 EP disclosed
EP-0358741-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID. MERCK PATENT GMBH (DE) 1990-03-21 EP disclosed
WO-1989008690-A1 SMECTIC LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008688-A1 DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008637-A1 DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332006-A1 Smectic liquid-crystal composition MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0332007-A1 Derivatives of 2,3-difluorohydroquinone MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed