SCHEMBL29256404

SCHEMBL29256404

O=Cc1ccccc1OC(=O)[C@@H]1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SRC P12931 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DPP4 P27487 4/20 0.37
▸ HTR2C P28335 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
SCHEMBL11851467 0.83 PTGDR2 (0.45) ELANEPTGDR2HPGDSMN1; SMN2CYP1A2
SCHEMBL3835050 0.81 ELANE (0.43) ELANEHPGDHTTSMN1; SMN2KMT2A
SCHEMBL28081733 0.81 SCN4A (0.51) ELANEHPGDKMT2AMEN1SCN4A
SCHEMBL28225018 0.79 KMT2A (0.57) ELANEPTGDR2HPGDALDH1A1HTT
SCHEMBL28663677 0.78 HTR2A (0.38) ELANEPTGDR2HPGDALDH1A1SMN1; SMN2
SCHEMBL23356900 0.77 DPP4 (0.49) ELANEALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL2016284 0.77 DPP4 (0.49) ELANEALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL4447785 0.77 DPP4 (0.49) ELANEALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3499943 0.77 SMN1; SMN2 (0.44) ELANEHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL7978485 0.77 SMN1; SMN2 (0.44) ELANEHPGDALDH1A1HTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324679-A All-natural framework molecular compound, preparation method thereof and application thereof in electrolyte micro-region mechanical stress measurement 江西广源化工有限责任公司 2024-07-12 — — CN claimed
CN-118324679-A All-natural framework molecular compound, preparation method thereof and application thereof in electrolyte micro-region mechanical stress measurement 江西广源化工有限责任公司 2024-07-12 — — CN disclosed
CN-118324679-A All-natural framework molecular compound, preparation method thereof and application thereof in electrolyte micro-region mechanical stress measurement 江西广源化工有限责任公司 2024-07-12 — — CN disclosed
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