SCHEMBL7055028

SCHEMBL7055028

O=C1CCCC[C@@H]1[C@@H](O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
CA1 P00915 5/20 0.59
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MCL1 Q07820 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL7053572 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL3487513 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL14292320 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL4754008 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL4754009 1.00 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL11790195 0.98 MAPT (0.60) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL14292324 0.95 MAPT (0.68) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL28789732 0.95 MAPT (0.68) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL11475684 0.84 CA1 (0.64) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL3487030 0.83 MAPT (0.51) MAPTCA1KDM4EHPGDSMN1; SMN2

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
WO-2015000543-A1 RARE EARTH METAL-BIS(PERFLUOROALKYL)PHOSPHINATES AS LEWIS ACID CATALYSTS MERCK PATENT GMBH (DE) 2015-01-08 WO disclosed
EP-0811629-B1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL IND LTD (JP) 2003-05-02 EP disclosed
US-5880301-A CATALYSTS FOR PREPARATION OF OPTICALLY ACTIVE BETA-HYDROXYKETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed