SCHEMBL9719627

SCHEMBL9719627

CCCCCC1(OC(=O)c2ccccc2)CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
KMT2A Q03164 1/20 0.36
EP300 Q09472 3/20 0.35
KCNH2 Q12809 1/20 0.35
MGLL Q99685 1/20 0.35
PGR P06401 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
FASN P49327 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
SCHEMBL11248829 0.99 SIGMAR1 (0.38) SIGMAR1GRIA1GRIA2GRIA3KMT2A
SCHEMBL8045991 0.82 FASN (0.36) KCNH2ADRA1DADRA1AADRA1BFASN
SCHEMBL27475789 0.81 SLC18A3 (0.43) SIGMAR1KMT2A
SCHEMBL11048064 0.78 SLC18A3 (0.37) KMT2AMRGPRX4
SCHEMBL7125778 0.77 FASN (0.36) KCNH2MRGPRX4FASN
SCHEMBL3267939 0.76 CETP (0.43) KMT2A
SCHEMBL27841792 0.75 CETP (0.44) KMT2A
SCHEMBL27822714 0.75 CETP (0.44) KMT2A
SCHEMBL9649306 0.74 TSHR (0.39) GRIA1GRIA2GRIA3KCNH2PGR
SCHEMBL9649297 0.74 TSHR (0.39) GRIA1GRIA2GRIA3KCNH2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5172256-A Liquid crystal variable color density lens and eye protective devices incorporating the same LIQUID CRYSTAL OPTICS INSTITUTE, INC. 1992-12-15 US claimed
US-4323472-A ELECTROOPTICAL DISPLAY TIMEX CORPORATION (US) 1982-04-06 US claimed