SCHEMBL28596195

SCHEMBL28596195

O=C(c1ccc(OC(=O)C2CC2)cc1)c1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.71
▸ POLB P06746 3/20 0.62
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ ESR1 P03372 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
SCHEMBL28605208 0.85 ELANE (0.73) ELANEPOLBKMT2AALDH1A1HPGD
SCHEMBL28585646 0.84 ELANE (0.68) ELANEPOLBKMT2AALDH1A1HPGD
SCHEMBL10483701 0.84 ELANE (1.00) ELANEPOLBKMT2AALDH1A1MEN1
SCHEMBL28590426 0.83 ELANE (0.71) ELANEPOLBKMT2AALDH1A1MEN1
SCHEMBL28591383 0.83 ELANE (0.71) ELANEPOLBKMT2AALDH1A1MEN1
SCHEMBL28581291 0.83 ELANE (0.66) ELANEPOLBKMT2AHPGDMEN1
SCHEMBL6689211 0.81 POLB (0.58) ELANEPOLBKMT2AMEN1HTT
SCHEMBL28588041 0.77 ELANE (0.66) ELANEPOLBKMT2AALDH1A1HPGD
SCHEMBL10455653 0.77 ELANE (0.45) ELANEPOLBKMT2AALDH1A1HPGD
SCHEMBL27559710 0.77 KMT2A (0.68) ELANEPOLBKMT2AALDH1A1HPGD

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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