SCHEMBL29919383

SCHEMBL29919383

CCN(CC)c1ccc2cc(C=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.68
▸ MEN1 O00255 9/20 0.68
▸ KMT2A Q03164 9/20 0.68
▸ MAPT P10636 8/20 0.68
▸ KDM4E B2RXH2 7/20 0.68
▸ HPGD P15428 5/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ CYP19A1 P11511 3/20 0.61
▸ L3MBTL1 Q9Y468 5/20 0.60
▸ GLA P06280 2/20 0.60
▸ ATM Q13315 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MAOB P27338 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ USP2 O75604 3/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ SLC16A3 O15427 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SLC16A1 P53985 1/20 0.55

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
SCHEMBL3919859 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL24999943 0.82 CYP2A6 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL15367933 0.82 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL61603 0.81 MEN1 (1.00) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL30195208 0.81 MEN1 (1.00) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23782005 0.80 MEN1 (0.97) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9653448 0.79 CYP19A1 (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL18838125 0.78 CYP2A6 (0.57) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL13810949 0.77 CYP19A1 (0.64) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL24089675 0.77 CYP2A6 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E

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-4081191-A1 ANTI-INFLAMMATORY DENDRIMER FORMULATION FOR THE TREATMENT OF PSORIASIS Centre National de la Recherche Scientifique (CNRS) (FR) 2022-11-02 — — EP disclosed
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