SCHEMBL9316282

SCHEMBL9316282

C=C(c1ccccc1)C1(C)CC(=O)CC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
MAPT P10636 5/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL14159845 0.82 LMNA (0.42) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL2245372 0.71 FFAR3 (0.42) ALDH1A1MAPTHTT
SCHEMBL11473105 0.67 ALDH1A1 (0.39) ALDH1A1MAPTHTTLMNAHPGD
SCHEMBL638075 0.65 MAPT (0.36) ALDH1A1MAPTHTTLMNACYP2C19
SCHEMBL21895986 0.65 TSHR (0.34) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL8535808 0.63 LMNA (0.40) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL9316276 0.61 CYP2D6 (0.35) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL9316278 0.61 CYP2D6 (0.35) ALDH1A1MAPTHTTSMN1; SMN2LMNA
SCHEMBL8007148 0.61 OPRM1 (0.38) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL10356257 0.61 LMNA (0.46) MAPTHTTLMNAHPGDKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523151-B1 TRANSMETALATIONS FROM ZIRCONIUM TO COPPER INTERMEDIATES UNIV CALIFORNIA (US) 1994-12-28 EP disclosed
US-5286889-A Reacting 1-alkyne with zirconocene chloride hydride, reacting product with organic lithium compound, reacting with lithium cuprate compound REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-15 US disclosed
EP-0523151-A1 TRANSMETALATIONS FROM ZIRCONIUM TO COPPER INTERMEDIATES. UNIV CALIFORNIA (US) 1993-01-20 EP disclosed
US-5166382-A Complexing to produce intermediates in preparation of vinylic side chains REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-11-24 US disclosed
US-5072010-A Reacting zirconium and lithium compounds, reacting product with copper/lithium complex UNIVERSITY OF CALIFORNIA (US) 1991-12-10 US disclosed
WO-1991015493-A1 TRANSMETALATIONS FROM ZIRCONIUM TO COPPER INTERMEDIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-10-17 WO disclosed