SCHEMBL29033140

SCHEMBL29033140

CC(C)C(=O)c1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ USP2 O75604 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SORT1 Q99523 11/20 0.48
▸ CFTR P13569 1/20 0.46
▸ CES2 O00748 2/20 0.46
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ LIPC P11150 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ TDP1 Q9NUW8 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
SCHEMBL26732909 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL30450981 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL26732592 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL460066 0.84 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL24450663 0.81 MEN1 (0.47) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL1033788 0.81 GAA (0.54) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL12780275 0.81 PDE2A (0.47) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL24451072 0.81 CES2 (0.47) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL13688467 0.81 CES2 (0.66) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL21725666 0.80 PDE2A (0.54) KDM4EALDH1A1HPGDHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261456-A Compounds, compositions, and methods 戴纳立制药公司 2023-06-13 — — CN disclosed
Send feedback