SCHEMBL7814906

SCHEMBL7814906

O=C(O)/C=C/c1cc(F)ccc1Cc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.54
PLA2G2A P14555 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
PTGER3 P43115 1/20 0.53
PTGDR Q13258 1/20 0.53
TRPM8 Q7Z2W7 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL10501064 0.84 MEN1 (0.59) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL10501049 0.84 MEN1 (0.59) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL7814883 0.82 PTGER3 (0.57) PTGER3PTGDRKDM4EHDAC1HDAC2
SCHEMBL7814884 0.82 PTGER3 (0.57) PTGER3PTGDRKDM4EHDAC1HDAC2
SCHEMBL29007183 0.80 TRPM8 (0.76) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL29617411 0.80 TRPM8 (0.76) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL15323162 0.77 ALDH1A1 (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL15323159 0.77 ALDH1A1 (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL24183187 0.77 TRPM8 (0.74) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL15325653 0.75 MEN1 (0.58) LTA4HPLA2G2AMEN1KMT2AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242493-B1 PROSTAGLANDIN INHIBITORS; ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-06-05 US disclosed
EP-1071648-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2001-01-31 EP disclosed
WO-1999047497-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 1999-09-23 WO disclosed