SCHEMBL7994840

SCHEMBL7994840

CCCCC1CC=CCCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL7994419 0.94 CYP1A2 (0.57) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL18757630 0.94 CYP1A2 (0.57) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL7992355 0.88 CYP1A2 (0.37) CYP1A2
SCHEMBL1524848 0.88 CYP1A2 (0.46) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL11783986 0.87 CYP1A2 (0.53) CYP1A2
SCHEMBL11783981 0.87 CYP1A2 (0.53) CYP1A2
SCHEMBL16567992 0.86 CYP1A2 (0.61) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL7994838 0.86 CYP1A2 (0.61) CYP1A2LMNAMAPK1HTTNOS1
Formic Acid SCHEMBL28784694 0.85 CYP1A2 (0.39) CYP1A2HTT
SCHEMBL1524898 0.82 CYP1A2 (0.40) CYP1A2LMNAMAPK1HTT

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-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed