SCHEMBL27620535

SCHEMBL27620535

CCC1(CCC(C)(N)C(=O)O)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.42
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
BLM P54132 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL27620516 0.98 GGT1 (0.41) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27601860 0.97 GGT1 (0.42) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27601841 0.82 BLM (0.36) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27620547 0.81 BLM (0.39) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27620457 0.79 GGT1 (0.44) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27658553 0.79 GGT1 (0.36) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27601840 0.75 GGT1 (0.44) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL27601864 0.74 GGT1 (0.47) GGT1ARG1ARG2BLMALDH1A1
SCHEMBL25660583 0.71 GGT1 (0.41) GGT1ARG1ARG2BLM
SCHEMBL21858440 0.70 TSHR (0.41) BLMALDH1A1CYP1A2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN claimed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 CN disclosed
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN disclosed
CN-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 CN disclosed