SCHEMBL9537041

SCHEMBL9537041

N[C@H]1CCCC[C@@]1(N)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.33
HSD11B1 P28845 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL420260 1.00 CYP1A2 (0.41) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL9537043 1.00 CYP1A2 (0.41) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL11143116 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL4043871 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL3775732 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL9301362 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1USP2LMNATSHR
Water SCHEMBL10639693 0.98 CYP1A2 (0.40) CYP1A2ALDH1A1USP2LMNATSHR
Acetic Acid SCHEMBL9484548 0.93 CYP1A2 (0.37) CYP1A2ALDH1A1USP2LMNATSHR
Acetic Acid SCHEMBL10419545 0.93 CYP1A2 (0.37) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL9320553 0.85 CYP2C19 (0.33) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150844-B1 METHOD OF RADIOACTIVELY LABELING DIAGNOSTIC AND THERAPEUTIC AGENTS CONTAINING A CHELATING GROUP ENZO BIOCHEM, INC. (US) 1993-07-28 EP claimed
US-4707352-A Method of radioactively labeling diagnostic and therapeutic agents containing a chelating group ENZO BIOCHEM, INC. (US) 1987-11-17 US claimed
EP-0150844-A2 Method of radioactively labeling diagnostic and therapeutic agents containing a chelating group ENZO BIOCHEM, INC. (US) 1985-08-07 EP claimed