SCHEMBL9541475

SCHEMBL9541475

CC(C)(C)C(=O)c1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
USP2 O75604 1/20 0.55
CYP2C19 P33261 1/20 0.55
SORT1 Q99523 14/20 0.54
CES2 O00748 2/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47

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
SCHEMBL460066 0.87 KDM4E (0.69) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL168327 0.84 KDM4E (0.61) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL4417351 0.80 KDM4E (0.54) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL15745421 0.80 CES2 (0.50) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL30184263 0.80 KDM4E (0.66) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL26057003 0.80 GAA (0.56) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL26020665 0.80 CES2 (0.70) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL26019684 0.80 CES2 (0.50) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL424990 0.79 RXRB (0.70) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL30450981 0.79 KDM4E (0.56) ALDH1A1HPGDKDM4EHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US disclosed