SCHEMBL31109331

SCHEMBL31109331

CCOC(=O)C[C@H](N)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ ALOX5 P09917 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ F10 P00742 2/20 0.47
▸ F2 P00734 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL20546749 1.00 PTGS1 (0.52) PTGS1KMT2ASMN1; SMN2ALOX5MEN1
Hydrochloric Acid SCHEMBL30644956 0.91 PTGS1 (0.43) PTGS1KMT2ASMN1; SMN2ALOX5MEN1
Hydrochloric Acid SCHEMBL28419478 0.91 PTGS1 (0.43) PTGS1KMT2ASMN1; SMN2ALOX5MEN1
Hydrochloric Acid SCHEMBL28422302 0.90 KMT2A (0.43) PTGS1KMT2ASMN1; SMN2ALOX5F10
Hydrochloric Acid SCHEMBL30644999 0.90 KMT2A (0.43) PTGS1KMT2ASMN1; SMN2ALOX5F10
Hydrochloric Acid SCHEMBL28412914 0.87 KMT2A (0.44) PTGS1KMT2ASMN1; SMN2F10F2
Hydrochloric Acid SCHEMBL30644977 0.87 KMT2A (0.44) PTGS1KMT2ASMN1; SMN2F10F2
SCHEMBL20857438 0.87 L3MBTL1 (0.44) PTGS1KMT2ASMN1; SMN2ALOX5F10
SCHEMBL13724830 0.86 L3MBTL1 (0.55) KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL13120939 0.86 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2F10F2FFAR1

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
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 — — EP disclosed
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