SCHEMBL28590426

SCHEMBL28590426

O=C(c1ccc(OC(=O)C2CC2)cc1)c1cccc(Br)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 0.49
▸ HTT P42858 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41

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
SCHEMBL28598290 0.85 ELANE (0.73) ELANEPOLBKMT2AHTTTDP1
SCHEMBL10483701 0.84 ELANE (1.00) ELANEPOLBKMT2AHTTTDP1
SCHEMBL28591383 0.83 ELANE (0.71) ELANEPOLBKMT2AHTTTDP1
SCHEMBL28596195 0.83 ELANE (0.71) ELANEPOLBKMT2AHTTTDP1
SCHEMBL28600303 0.83 ELANE (0.66) ELANEPOLBKMT2AHTTTDP1
SCHEMBL28918029 0.81 ELANE (0.68) ELANEPOLBKMT2AHTTTDP1
SCHEMBL21629499 0.81 ELANE (0.67) ELANEPOLBKMT2AHTTTDP1
SCHEMBL23291730 0.81 POLB (0.58) ELANEPOLBKMT2AHTTTDP1
SCHEMBL27851443 0.79 POLB (0.56) ELANEPOLBKMT2AHTTTDP1
SCHEMBL3672143 0.79 SRD5A2 (0.53) ELANEPOLBKMT2AHTTTDP1

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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