SCHEMBL27546320

SCHEMBL27546320

COC(=O)C1CC(=O)CCN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.50
▸ ANPEP P15144 3/20 0.50
▸ KMT2A Q03164 2/20 0.42
▸ GFER P55789 1/20 0.40
▸ FKBP1A P62942 1/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL13302135 0.85 NPC1 (0.46) KMT2AALDH1A1MEN1
SCHEMBL2770443 0.80 KMT2A (0.47) MMP2ANPEPKMT2AGFERFKBP1A
SCHEMBL29671593 0.80 KMT2A (0.47) MMP2ANPEPKMT2AGFERFKBP1A
SCHEMBL29035348 0.78 SCN9A (0.48) MMP2ANPEPKMT2AFKBP1ASLC6A4
SCHEMBL26246339 0.78 SCN9A (0.48) MMP2ANPEPKMT2AFKBP1ASLC6A4
SCHEMBL31561934 0.77 FKBP1A (0.49) MMP2ANPEPFKBP1AALDH1A1
SCHEMBL1773387 0.77 MMP2 (0.46) MMP2ANPEPKMT2AGFERSLC6A4
SCHEMBL29671561 0.77 FKBP1A (0.47) MMP2ANPEPKMT2AFKBP1ASLC6A4
Hydrochloric Acid SCHEMBL29289926 0.77 SCN9A (0.47) MMP2ANPEPKMT2AFKBP1ASLC6A4
SCHEMBL27551310 0.77 FKBP1A (0.47) MMP2ANPEPKMT2AFKBP1ASLC6A4

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
CN-1278791-A Process for the preparation of azacyclkylalkanoyl pseudotetrapeptides HOECHST PHARMA (US) 2001-01-03 — — CN disclosed
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