SCHEMBL7798713

SCHEMBL7798713

CCCC[C@H](O)COc1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
S1PR1 P21453 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
PLA2G4B P0C869 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47

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
SCHEMBL1496740 1.00 KDM4E (0.51) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL6521578 0.89 ALDH1A1 (0.45) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL15007577 0.88 ALDH1A1 (0.51) KDM4EPOLBALDH1A1MAPK1S1PR1
SCHEMBL7804269 0.86 TSHR (0.55) KDM4EPOLBKMT2AMEN1MAPK1
SCHEMBL1496504 0.86 TSHR (0.55) KDM4EPOLBKMT2AMEN1MAPK1
SCHEMBL7798686 0.85 MAPK1 (0.68) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL1496622 0.85 CYP1A2 (0.53) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL1496686 0.85 MAPK1 (0.68) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL7804281 0.84 LMNA (0.56) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL1496573 0.84 LMNA (0.56) KDM4EPOLBKMT2AMEN1ALDH1A1

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-1104395-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-06-06 EP disclosed
WO-2000009463-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-24 WO disclosed