SCHEMBL9269779

SCHEMBL9269779

CCc1cccc(CC)c1NC(=O)N(Cc1ccc(OC)cc1OC)[C@H]1CC[C@@H](C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.47
▸ USP2 O75604 4/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TSHR P16473 3/20 0.45
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ THRB P10828 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ UBE2M P61081 1/20 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
SCHEMBL9269777 1.00 ALDH1A1 (0.47) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL9275013 0.91 ALDH1A1 (0.56) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL9275006 0.91 ALDH1A1 (0.56) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL9269297 0.91 MEN1 (0.49) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL9269308 0.91 MEN1 (0.49) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL9272348 0.79 ALDH1A1 (0.55) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL9272345 0.79 ALDH1A1 (0.55) ALDH1A1NPSR1USP2LMNATP53
SCHEMBL9265663 0.78 ALDH1A1 (0.56) ALDH1A1NPSR1USP2LMNAMAPT
SCHEMBL9265659 0.78 ALDH1A1 (0.56) ALDH1A1NPSR1USP2LMNAMAPT
SCHEMBL9270465 0.76 ALDH1A1 (0.55) ALDH1A1NPSR1USP2LMNATP53

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
US-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 — — US disclosed
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