SCHEMBL27579286

SCHEMBL27579286

CC(C)c1ccc(CC(N)=O)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 7/20 0.39
▸ AKR1C3 P42330 8/20 0.38
▸ AKR1C2 P52895 8/20 0.38
▸ ICMT O60725 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AKR1B10 O60218 2/20 0.36
▸ AKR1C4 P17516 2/20 0.36
▸ AKR1C1 Q04828 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HIF1A Q16665 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
SCHEMBL5519273 0.86 AGBL2 (0.46) POLQAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL13491960 0.80 AKR1C3 (0.40) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL10199570 0.80 AKR1C3 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL16259600 0.80 ANO1 (0.42) POLQAKR1C3AKR1C2TP53MAPT
SCHEMBL14197184 0.79 IDO1 (0.38) AKR1C3AKR1C2HIF1A
SCHEMBL14562998 0.78 POLQ (0.56) POLQICMT
SCHEMBL5461078 0.76 CES2 (0.42) AKR1C3AKR1C2CYP2D6CYP2C9HIF1A
SCHEMBL6717126 0.76 KDM1A (0.41) POLQICMT
SCHEMBL25541293 0.74 NR1H2 (0.34) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL12172236 0.74 ALDH1A1 (0.50) TP53MAPTSMN1; SMN2HIF1A

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-1479716-A Propionic acid derivatives with PPAR-alpha activating properties — 2004-03-03 — — CN disclosed
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