SCHEMBL1925119

SCHEMBL1925119

C[C@]12CCC[C@H]1[C@@](CN)(C(=O)O)C2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 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
SCHEMBL3541280 0.72 CYP1A2 (0.37) SMN1; SMN2CYP1A2USP2ALDH1A1LMNA
SCHEMBL1923728 0.70 CYP1A2 (0.40) SMN1; SMN2POLBCYP1A2USP2ALDH1A1
SCHEMBL5323367 0.64
SCHEMBL5899603 0.62 GRM2 (0.32)
SCHEMBL5899763 0.61 GRM1 (0.33) SMN1; SMN2CYP1A2USP2ALDH1A1LMNA
SCHEMBL6680402 0.61 CYP1A2 (0.33) CYP1A2ALDH1A1
SCHEMBL5899776 0.61 ARG1 (0.34) SMN1; SMN2CYP1A2USP2ALDH1A1LMNA
SCHEMBL6215052 0.61 CYP1A2 (0.33) CYP1A2ALDH1A1
SCHEMBL3865460 0.61 CYP1A2 (0.33) CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL6218699 0.60 CYP1A2 (0.33) CYP1A2

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
EP-2125021-B1 COMBINATION THERAPY OF LOWER URINARY TRACT DISORDERS WITH 2 LIGANDS AND NSAIDS RECORDATI IRELAND LTD (IE) 2011-06-08 EP claimed