SCHEMBL9226552

SCHEMBL9226552

CCCCCCCC(C)([O])C(CCCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NAAA Q02083 2/20 0.39
POLB P06746 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
ATM Q13315 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP14 P50281 1/20 0.38
HTR2A P28223 1/20 0.38
ASAH1 Q13510 2/20 0.38
RIPK1 Q13546 2/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACER2 Q5QJU3 1/20 0.37

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
SCHEMBL9225590 0.94 MEN1 (0.40) MEN1KMT2ANAAAPOLBMMP2
SCHEMBL9225632 0.83 LTA4H (0.47) MMP2MMP9MMP3ALDH1A1
SCHEMBL9226954 0.83 MEN1 (0.42) MEN1KMT2ANAAAPOLBATM
SCHEMBL9221905 0.82 CHRNA7 (0.34) MEN1KMT2ANAAAMMP2MMP9
SCHEMBL9228212 0.80 CNR2 (0.36)
SCHEMBL9225864 0.79 GRIA4 (0.40) MEN1KMT2AALDH1A1
SCHEMBL9224130 0.79 ATM (0.34) MEN1KMT2AATMHTR2AMAPK1
SCHEMBL9227289 0.79 FAAH (0.34) MMP2ALDH1A1
SCHEMBL9227287 0.78 HTR2A (0.44) HTR2AALDH1A1
SCHEMBL9222752 0.78 MMP1 (0.40) MEN1KMT2AMMP2MMP9MMP1

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