SCHEMBL9622137

SCHEMBL9622137

Cc1cccc2c1-c1c(C)cccc1C2C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EDNRA P25101 2/20 0.38
EDNRB P24530 1/20 0.38
NFKB1 P19838 1/20 0.37
RELA Q04206 1/20 0.37
FABP4 P15090 1/20 0.37
HDAC4 P56524 1/20 0.37
HTR2B P41595 2/20 0.36
HTR7 P34969 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL9449453 0.87 MYC (0.50) MYCGAATSHRHPGDEDNRA
SCHEMBL8816538 0.79 HTT (0.43) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10355854 0.74 EDNRA (0.50) TSHRALDH1A1EDNRAEDNRBHDAC4
SCHEMBL11527593 0.74 EDNRA (0.50) TSHRALDH1A1EDNRAEDNRBHDAC4
SCHEMBL20169172 0.73 LMNA (0.44) GAAALDH1A1EDNRAEDNRBHDAC4
SCHEMBL6023644 0.73 HDAC4 (0.41) GAATSHRALDH1A1EDNRAEDNRB
SCHEMBL30838752 0.73 HTR2B (0.46) MYCTSHRALDH1A1HTR2BHTR7
SCHEMBL28618542 0.73 HTR2B (0.46) MYCTSHRALDH1A1HTR2BHTR7
SCHEMBL8817282 0.72 HTT (0.55) TSHRHPGDHDAC4TP53HTT
SCHEMBL9449948 0.72 HDAC3 (0.44) MYCALDH1A1KDM4EHPGDHSD17B10

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
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed