SCHEMBL7938827

SCHEMBL7938827

Cc1cc2c(c(C)c1O)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
ELAVL1 Q15717 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 4/20 0.36
PBRM1 Q86U86 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
EEF2K O00418 1/20 0.34
SRC P12931 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAOA P21397 1/20 0.33
HSD17B1 P14061 2/20 0.33
PTPN1 P18031 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 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
SCHEMBL25897001 0.85 ELAVL1 (0.37) MEN1KMT2AMAPTKDM4EUSP2
SCHEMBL3005126 0.77 KDM4E (0.32) KDM4EALDH1A1POLBTYMS
SCHEMBL23599373 0.74 CYP3A4 (0.41) MEN1KMT2AMAPTKDM4EELAVL1
SCHEMBL31185504 0.74 CYP3A4 (0.41) MEN1KMT2AMAPTKDM4EELAVL1
SCHEMBL20691958 0.72 BRD4 (0.37) MEN1KMT2AMAPTALDH1A1
SCHEMBL17397694 0.71 ACLY (0.45) MEN1KMT2AMAPTKDM4EUSP2
SCHEMBL30994051 0.71 ACLY (0.45) MEN1KMT2AMAPTKDM4EUSP2
SCHEMBL11917771 0.71 PBRM1 (0.41) MEN1KMT2AMAPTKDM4EUSP2
SCHEMBL11927529 0.71 TYMS (0.42) MEN1KMT2AMAPTKDM4EUSP2
SCHEMBL9579461 0.71 MAOA (0.47) MEN1KMT2AMAPTKDM4EUSP2

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
US-6300376-B1 FOR THERAPY TO ACHIEVE SMOOTH MUSCLE RELAXING ACTIVITY AND/OR MAST CELL STABILIZING ACTIVITY AND/OR ANTI-INFLAMMATORY ACTIVITY VENANTIUS LIMITED (IR) 2001-10-09 US disclosed
EP-0865419-A1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE Venantius Limited (IE) 1998-09-23 EP disclosed