SCHEMBL7071444

SCHEMBL7071444

Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CCC2CC=CC2)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL7067674 0.90 HPGD (0.39) ALDH1A1
SCHEMBL7066800 0.89 GRIN1 (0.35) ALDH1A1
SCHEMBL2467184 0.85
SCHEMBL6088530 0.83 GRIN1 (0.42) ALDH1A1
SCHEMBL8484317 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6086617 0.81 GRIN1 (0.39) ALDH1A1
SCHEMBL7074091 0.81 GRIN1 (0.39) ALDH1A1
SCHEMBL12829055 0.81 MAOB (0.36) ALDH1A1
SCHEMBL6088065 0.80 GRIN1 (0.38) ALDH1A1
SCHEMBL6086495 0.80 LMNA (0.35) ALDH1A1

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
EP-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed
US-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed