SCHEMBL8993362

SCHEMBL8993362

O=C(CCC1c2ccccc2-c2ccccc21)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
PKM P14618 1/20 0.51
PTPN12 Q05209 2/20 0.46
GPR35 Q9HC97 2/20 0.46
PTPN22 Q9Y2R2 2/20 0.46
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
SIRT5 Q9NXA8 4/20 0.42
STAT3 P40763 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NPC1 O15118 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
EPHX2 P34913 2/20 0.41
POLB P06746 3/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
Water SCHEMBL8993280 0.99 KMT2A (0.50) KMT2APKMPTPN12GPR35PTPN22
SCHEMBL13593266 0.80 KMT2A (0.61) KMT2APKMPTPN12GPR35PTPN22
SCHEMBL3208722 0.80 EPHX2 (0.67) KMT2APKMMEN1ALDH1A1KDM4E
SCHEMBL8993427 0.78 HCAR2 (0.52) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL1993952 0.77 GAA (0.66) KMT2APKMALDH1A1NPC1MAPT
SCHEMBL2128835 0.74 ALDH1A1 (0.68) KMT2APKMMEN1ALDH1A1KDM4E
SCHEMBL2004145 0.74 TRPV1 (0.66) KMT2APKMMEN1ALDH1A1NPC1
SCHEMBL1130032 0.73 KMT2A (0.61) KMT2APKMMEN1ALDH1A1KDM4E
SCHEMBL2002326 0.72 CA12 (0.64) KMT2APKMMEN1ALDH1A1KDM4E
SCHEMBL16221621 0.72 KMT2A (0.59) KMT2APKMMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5472973-A Non-steroidal antiinflammatory agents SCIOS NOVA INC. (US) 1995-12-05 US claimed
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO claimed
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed
US-5472973-A Non-steroidal antiinflammatory agents SCIOS NOVA INC. (US) 1995-12-05 US disclosed
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO disclosed