SCHEMBL28585646

SCHEMBL28585646

O=C(c1ccc(OC(=O)C2CC2)cc1)c1c(F)cccc1F

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.68
▸ POLB P06746 2/20 0.58
▸ KMT2A Q03164 6/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ USP2 O75604 1/20 0.37

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
SCHEMBL28596195 0.84 ELANE (0.71) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28588045 0.83 ELANE (0.69) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28605208 0.83 ELANE (0.73) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28918029 0.82 ELANE (0.68) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL10483701 0.81 ELANE (1.00) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28581291 0.81 ELANE (0.66) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL11823665 0.78 KMT2A (0.83) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28171315 0.77 ELANE (0.67) ELANEKMT2AHTTSMN1; SMN2MEN1
SCHEMBL27559710 0.77 KMT2A (0.68) ELANEPOLBKMT2AHTTSMN1; SMN2
SCHEMBL28598290 0.76 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
Send feedback