SCHEMBL14455057

SCHEMBL14455057

C#CCN1CCN(C(=O)CCC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.41
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ MAOB P27338 4/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ ATM Q13315 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
SCHEMBL12161038 0.83 BCHE (0.36) HSD11B1ALDH1A1HRH3BCHEMAOB
SCHEMBL27397028 0.80 HSD11B1 (0.45) HSD11B1TP53ALDH1A1KDM4EMEN1
SCHEMBL16938386 0.80 HSD11B1 (0.61) HSD11B1ALDH1A1KDM4EMEN1USP2
SCHEMBL12092350 0.80 HSD11B1 (0.45) HSD11B1TP53ALDH1A1KDM4EMEN1
SCHEMBL27482144 0.78 BLM (0.42) HSD11B1ALDH1A1MEN1KMT2ABCHE
SCHEMBL27395987 0.77 ALDH1A1 (0.48) HSD11B1ALDH1A1KDM4EMEN1USP2
SCHEMBL23471258 0.75 TDP1 (0.45) HSD11B1TP53ALDH1A1KDM4EMEN1
SCHEMBL13439304 0.75 KMT2A (0.45) HSD11B1ALDH1A1KDM4EMEN1USP2
SCHEMBL21015364 0.75 PIK3CD (0.56) HSD11B1ALDH1A1KDM4EMEN1USP2
SCHEMBL19169730 0.75 ATM (0.52) HSD11B1TP53ALDH1A1KDM4EMEN1

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
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 — — WO disclosed
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