SCHEMBL7489203

SCHEMBL7489203

Cc1ccc(-c2sccc2-c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.47
TBXA2R P21731 7/20 0.47
BRD4 O60885 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SYK P43405 1/20 0.45

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
SCHEMBL7566760 0.88 PTGER1 (0.47) PTGER1TBXA2RBRD4MAPTMAPK1
SCHEMBL6604823 0.86 PTGS1 (0.55) PTGER1TBXA2R
SCHEMBL6603715 0.84 PTGER1 (0.48) PTGER1TBXA2RBRD4L3MBTL1
SCHEMBL6605630 0.84 PTGER1 (0.48) PTGER1TBXA2RBRD4
SCHEMBL6604669 0.84 RXRA (0.62) PTGER1TBXA2RHPGD
SCHEMBL6604924 0.83 PTGER1 (0.62) PTGER1TBXA2R
SCHEMBL10093045 0.81 SYK (0.63) PTGER1BRD4MAOBALDH1A1MAPT
SCHEMBL26013299 0.74 MAPT (0.63) PTGER1BRD4MAPTMAPK1TDP1
SCHEMBL6605970 0.73 RXRA (0.66) PTGER1TBXA2RKDM4EALDH1A1HPGD
SCHEMBL13114653 0.72 MAPT (0.53) BRD4MAOBMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216238-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Frosst Canada & Co. (CA) 2002-06-26 EP claimed
WO-2001019814-A2 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 2001-03-22 WO claimed