SCHEMBL9642113

SCHEMBL9642113

C[C@H]1O[C@H](O)[C@H]2O[C@@H]2[C@]1(O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
OPRL1 P41146 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
SCHEMBL2235930 0.74 PDPK1 (0.38) LMNAALDH1A1CYP3A4OPRL1
SCHEMBL9439377 0.70 MAOA (0.48) LMNAALDH1A1OPRL1
SCHEMBL629665 0.69 LMNA (0.36) LMNAALDH1A1CYP3A4OPRL1
SCHEMBL9641668 0.69 LMNA (0.32) LMNAALDH1A1CYP3A4
SCHEMBL9642567 0.69 LMNA (0.32) LMNAALDH1A1CYP3A4
SCHEMBL18102902 0.68 LMNA (0.38) LMNAALDH1A1OPRL1
SCHEMBL20226481 0.68 LMNA (0.38) LMNAALDH1A1OPRL1
SCHEMBL20234219 0.68 LMNA (0.38) LMNAALDH1A1OPRL1
SCHEMBL9439491 0.68 ALDH1A1 (0.39) LMNAALDH1A1OPRL1
SCHEMBL22034479 0.66 SLC5A2 (0.38) CYP3A4

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
EP-0275431-B1 NOVEL ANTHRACYCLINE DERIVATIVES, A PROCESS FOR PREPARING SAME AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1992-09-23 EP disclosed
EP-0275431-A1 Novel anthracycline derivatives, a process for preparing same and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1988-07-27 EP disclosed
EP-0230322-A2 2,6-Dideoxy-2-fluoro-L-talopyranose and derivates thereof and the production of these compounds ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-07-29 EP disclosed
EP-0230013-A1 New anthracycline derivatives, uses thereof as antitumor agent and production thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-07-29 EP disclosed