SCHEMBL11592002

SCHEMBL11592002

CCCCCCCCCCCCCCc1cc2c(cc1C(=O)O)C(=O)OC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 6/20 0.47
CDC25B P30305 6/20 0.47
CDC25C P30307 5/20 0.47
KAT8 Q9H7Z6 4/20 0.44
PPARA Q07869 4/20 0.44
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
PPARG P37231 2/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43

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
SCHEMBL11590535 1.00 CDC25A (0.47) CDC25ACDC25BCDC25CKAT8PPARA
SCHEMBL11593900 1.00 CDC25A (0.47) CDC25ACDC25BCDC25CKAT8PPARA
SCHEMBL11591571 1.00 CDC25A (0.47) CDC25ACDC25BCDC25CKAT8PPARA
SCHEMBL11592664 1.00 CDC25A (0.47) CDC25ACDC25BCDC25CKAT8PPARA
SCHEMBL11590953 1.00 CDC25A (0.47) CDC25ACDC25BCDC25CKAT8PPARA
SCHEMBL11800974 0.82 KAT8 (0.56) KAT8PPARABIDMCL1BCL2L1
SCHEMBL31484720 0.81 KAT8 (0.54) KAT8PPARABIDMCL1BCL2L1
SCHEMBL11593709 0.79 KAT8 (0.53) KAT8PPARABIDMCL1BCL2L1
SCHEMBL9700182 0.79 KAT8 (0.53) KAT8PPARABIDMCL1BCL2L1
SCHEMBL7474574 0.77 TSHR (0.45) HPSE

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-4127418-A CATIONIC QUATERNARY AMINE STARCH STANDARD OIL COMPANY (US) 1978-11-28 US disclosed
US-4065349-A MONOESTER OF A BENZENE ANHYDRIDE AND A CATIONIC RETENTION AID STANDARD OIL COMPANY (INDIANA) (US) 1977-12-27 US disclosed