SCHEMBL7980704

SCHEMBL7980704

[C]1c2ccccc2CCC1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.39
SIGMAR1 Q99720 3/20 0.33
PDPK1 O15530 1/20 0.33
KEAP1 Q14145 1/20 0.33
HTR2A P28223 5/20 0.33
HTR2C P28335 5/20 0.33
HTR2B P41595 5/20 0.33
HRH3 Q9Y5N1 4/20 0.33
POLB P06746 1/20 0.33
PLAU P00749 1/20 0.32
TSHR P16473 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
SCHEMBL8892901 0.84 PLAU (0.43) SIGMAR1PLAU
SCHEMBL5256851 0.76 PDPK1 (0.39) SIGMAR1PDPK1
SCHEMBL6026793 0.75 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL121704 0.74 PDPK1 (0.43) SIGMAR1PDPK1
SCHEMBL1970744 0.73 IDO1 (0.41) SIGMAR1PDPK1
SCHEMBL8332242 0.72 KDM4E (0.31)
SCHEMBL4904876 0.71 SIGMAR1 (0.43) PRCPSIGMAR1TSHR
SCHEMBL3653495 0.69 PLAU (0.41) PDPK1HTR2CHTR2BPLAUTSHR
SCHEMBL2183528 0.69 PDPK1 (0.37) PDPK1PLAUTSHR
SCHEMBL1383876 0.69 ANPEP (0.39) PDPK1PLAUTSHR

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-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US claimed