SCHEMBL8530296

SCHEMBL8530296

Cc1cc(C)cc(Oc2[nH]c(=O)n(CC3CC=CC3)c(=O)c2C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8484317 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7844254 0.86 LMNA (0.33) GRIN1GRIN2BSMN1; SMN2
SCHEMBL8527303 0.84 GRIN1 (0.35) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL7066800 0.82 GRIN1 (0.35) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL7848800 0.81 KDM4E (0.34) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL7847745 0.79 ELANE (0.32) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL7846207 0.78 TLR7 (0.42) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL8334318 0.78
SCHEMBL8529240 0.77 GRIN1 (0.35) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL8530286 0.76 GRIN1 (0.34) GRIN1GRIN2BMEN1ALDH1A1CYP3A4

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-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed