SCHEMBL28600303

SCHEMBL28600303

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.66
▸ POLB P06746 2/20 0.57
▸ KMT2A Q03164 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL28598290 0.84 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28590426 0.83 ELANE (0.71) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28918029 0.81 ELANE (0.68) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL10483701 0.80 ELANE (1.00) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28581291 0.79 ELANE (0.66) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28588041 0.79 ELANE (0.66) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28581457 0.78 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28605208 0.78 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28585415 0.78 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28591383 0.77 ELANE (0.71) 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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