SCHEMBL4409880

SCHEMBL4409880

NCCC(=O)N[C@H]([C]=O)Cc1c[nH]cn1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MMP2 P08253 1/20 0.30

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
SCHEMBL15271276 0.89 CTSC (0.39) CTSC
SCHEMBL4764560 0.89 CTSC (0.39) CTSC
SCHEMBL6381089 0.89 CTSC (0.39) CTSC
SCHEMBL7295646 0.84 CYP1A2 (0.43) CYP3A4TSHRCYP2C19LMNA
SCHEMBL7295654 0.84 CYP1A2 (0.43) CYP3A4TSHRCYP2C19LMNA
SCHEMBL4589893 0.82 ACACB (0.34) —
SCHEMBL2184592 0.81 ACACB (0.32) —
SCHEMBL7288407 0.81 ACACB (0.32) —
Carnosine SCHEMBL33769 0.80 ITGB3 (0.41) —
Carnosine SCHEMBL3904964 0.80 ITGB3 (0.41) —

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-7585846-B2 Compounds for delivering amino acids or peptides with antioxidant activity into mitochondria and use thereof UNIVERSITY OF ROCHESTER (US) 2009-09-08 — — US claimed
US-6251857-B1 USING OXIDIZED GLUTATHIONE (ALSO KNOWN AS GLUTATHIONE DISULFIDE AND GSSG), DERIVATIVE OR SALT THEREOF; TREATING NEOPLASTIC, INFECTIOUS, HEMATOLOGIC AND IMMUNOLOGIC DISEASES NOVELOS THERAPEUTICS, INC. 2001-06-26 — — US claimed
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