SCHEMBL8574344

SCHEMBL8574344

NCCCC[C@H](N)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.56
▸ TSHR P16473 1/20 0.47
▸ CES1 P23141 2/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MC4R P32245 1/20 0.45
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GSR P00390 1/20 0.42
▸ PDF Q9HBH1 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ LOXL2 Q9Y4K0 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
SCHEMBL11161912 0.84 TDP1 (0.47) MMP2TSHRCES1CA1CA2
Lysine SCHEMBL28385610 0.80 GSR (0.56) MMP2MC4RALDH1A1GSRGRM8
Lysine SCHEMBL28327845 0.80 GSR (0.56) MMP2MC4RALDH1A1GSRGRM8
SCHEMBL31661119 0.80 MMP2 (0.48) MMP2TSHRTDP1MC4RLMNA
SCHEMBL2804606 0.79 MMP2 (0.62) MMP2LMNAGAAALDH1A1PDF
SCHEMBL3670010 0.79 MMP2 (0.62) MMP2LMNAGAAALDH1A1PDF
SCHEMBL4423862 0.79 MMP2 (0.53) MMP2MC4RGAAALDH1A1PDF
SCHEMBL30358354 0.79 MMP2 (0.53) MMP2TSHRCA1CA2MC4R
SCHEMBL8740500 0.79 MMP2 (0.53) MMP2MC4RGAAALDH1A1PDF
Lysine SCHEMBL27760108 0.79 GSR (0.54) MMP2MC4RALDH1A1GSRGRM8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817758-A FOR PEPTIDES TERRAPIN TECHNOLOGIES, INC. (US) 1998-10-06 — — US disclosed
WO-1996040735-A1 p-NITROBENZYL SIDE-CHAIN PROTECTION FOR SOLID-PHASE SYNTHESIS TERRAPIN TECHNOLOGIES, INC. (US) 1996-12-19 — — WO disclosed
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