SCHEMBL28581291

SCHEMBL28581291

O=C(c1ccc(OC(=O)C2CC2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.66
▸ POLB P06746 2/20 0.57
▸ KMT2A Q03164 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ VNN1 O95497 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL28605208 0.84 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL5740698 0.84 KMT2A (0.56) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28596195 0.83 ELANE (0.71) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28585415 0.81 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28585646 0.81 ELANE (0.68) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28591383 0.80 ELANE (0.71) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL10483701 0.80 ELANE (1.00) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28600303 0.79 ELANE (0.66) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28588041 0.79 ELANE (0.66) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28598290 0.78 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2

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-113121331-A Phenoxy aromatic acid compound with cyclopropyl and pharmaceutically acceptable salt thereof, and preparation method and application thereof 华创合成制药股份有限公司 2021-07-16 — — CN claimed
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