SCHEMBL9271667

SCHEMBL9271667

CCCCSCCN(C(=O)Nc1c(CC)cccc1CC)C1CCC(C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ COL1A1 P02452 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ UBE2M P61081 4/20 0.36
▸ DCUN1D1 Q96GG9 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTBP1 P26599 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL9271674 1.00 COL1A1 (0.38) COL1A1ALDH1A1KMT2AUBE2MDCUN1D1
SCHEMBL9273333 0.90 CYP3A4 (0.41) ALDH1A1KMT2AUBE2MDCUN1D1MEN1
SCHEMBL9273330 0.90 CYP3A4 (0.41) ALDH1A1KMT2AUBE2MDCUN1D1MEN1
SCHEMBL9272129 0.87 UBE2M (0.46) COL1A1UBE2MDCUN1D1
SCHEMBL9272134 0.87 UBE2M (0.46) COL1A1UBE2MDCUN1D1
SCHEMBL9269480 0.77 CYP3A4 (0.44) ALDH1A1UBE2MDCUN1D1LMNAPTBP1
SCHEMBL9269474 0.77 CYP3A4 (0.44) ALDH1A1UBE2MDCUN1D1LMNAPTBP1
SCHEMBL9269777 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AUBE2MDCUN1D1MEN1
SCHEMBL9269779 0.71 ALDH1A1 (0.47) ALDH1A1KMT2AUBE2MDCUN1D1MEN1
SCHEMBL9273248 0.70 EPHX1 (0.42) ALDH1A1KMT2ADCUN1D1MEN1LMNA

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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