SCHEMBL7994790

SCHEMBL7994790

C[C](C)CC1C=CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7992643 0.94 CHRNB2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7992425 0.85
SCHEMBL12208473 0.84 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19263973 0.78 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25290906 0.76
SCHEMBL1227704 0.76
SCHEMBL8585997 0.76
SCHEMBL22639475 0.75 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7991301 0.74 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL11045946 0.74

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