SCHEMBL9225864

SCHEMBL9225864

CCCCCCCC(C)([O])C(CCC)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
STS P08842 2/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GHSR Q92847 1/20 0.33
SLC2A1 P11166 1/20 0.33
CNR1 P21554 2/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL9228212 0.87 CNR2 (0.36) CNR2SLC2A1CNR1NR1I2
SCHEMBL9224130 0.85 ATM (0.34) STSMEN1KMT2ASLC2A1NR1I2
SCHEMBL9227289 0.85 FAAH (0.34) ALDH1A1LMNASLC2A1NR1I2
SCHEMBL9225590 0.85 MEN1 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL9227287 0.84 HTR2A (0.44) STSALDH1A1LMNAHSD17B10
SCHEMBL9222752 0.84 MMP1 (0.40) MEN1MAPTKMT2ACNR2SLC2A1
SCHEMBL9225632 0.81 LTA4H (0.47) HDAC3ALDH1A1SMN1; SMN2LMNA
SCHEMBL9225116 0.80 CNR2 (0.40) CNR2LMNACNR1NR1I2
SCHEMBL9221905 0.80 CHRNA7 (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL9226552 0.79 MEN1 (0.40) MEN1ALDH1A1KMT2A

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
EP-0590020-B1 CURABLE ORGANOPOLYSILOXANE PREPARATIONS WACKER CHEMIE GMBH (DE) 1995-09-06 EP disclosed
US-5420222-A Curable organo(poly)siloxane compositions WACKER-CHEMIE GMBH (DE) 1995-05-30 US disclosed
EP-0590020-A1 CURABLE ORGANOPOLYSILOXANE PREPARATIONS. WAKKER CHEMIE GMBH (DE) 1994-04-06 EP disclosed
WO-1993000405-A1 CURABLE ORGANOPOLYSILOXANE PREPARATIONS WACKER-CHEMIE GMBH (DE) 1993-01-07 WO disclosed