SCHEMBL25890713

SCHEMBL25890713

CON[C@@H](c1ccc(OC)cc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ MMP1 P03956 2/20 0.41
▸ MMP2 P08253 2/20 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
SCHEMBL25890717 0.85 MEN1 (0.51) SLC6A2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL25890745 0.81 TRPV1 (0.42) SLC6A3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL25890759 0.81 SLC6A3 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL25620291 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL25890774 0.78 SLC6A3 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL14533607 0.77 KMT2A (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MEN1
SCHEMBL25620287 0.77 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL1042296 0.76 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL4611536 0.76 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL25890721 0.74 LMNA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A

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-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 — — EP disclosed
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