SCHEMBL11248829

SCHEMBL11248829

CCCCCCCC1(OC(=O)c2ccccc2)CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 1/20 0.36
MGLL Q99685 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
KMT2A Q03164 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
EP300 Q09472 2/20 0.35
PGR P06401 2/20 0.34
S1PR3 Q99500 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
GRM2 Q14416 1/20 0.34
PTPN1 P18031 1/20 0.34
ACP1 P24666 1/20 0.34
CDC25B P30305 1/20 0.34

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
SCHEMBL9719627 0.99 SIGMAR1 (0.38) SIGMAR1KCNH2MGLLGRIA1GRIA2
SCHEMBL8045991 0.81 FASN (0.36) KCNH2
SCHEMBL27475789 0.80 SLC18A3 (0.43) SIGMAR1KMT2A
SCHEMBL11048064 0.77 SLC18A3 (0.37) KMT2AMRGPRX4
SCHEMBL27841792 0.77 CETP (0.44) KMT2A
SCHEMBL27822714 0.77 CETP (0.44) KMT2A
SCHEMBL7125778 0.77 FASN (0.36) KCNH2MRGPRX4
SCHEMBL3267939 0.75 CETP (0.43) KMT2A
SCHEMBL9648248 0.74 TSHR (0.41) MGLLGRIA1GRIA2GRIA3PGR
SCHEMBL9648517 0.74 TSHR (0.41) MGLLGRIA1GRIA2GRIA3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323472-A ELECTROOPTICAL DISPLAY TIMEX CORPORATION (US) 1982-04-06 US claimed