SCHEMBL7980381

SCHEMBL7980381

[CH2]CCCC1CCC=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
SIGMAR1 Q99720 3/20 0.33

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
SCHEMBL7980379 1.00 CYP1A2 (0.35) CYP1A2SIGMAR1
SCHEMBL4337070 0.94 SIGMAR1 (0.36) CYP1A2SIGMAR1
SCHEMBL4325754 0.91 CYP1A2 (0.31) CYP1A2
SCHEMBL7998012 0.87
SCHEMBL7998008 0.87
SCHEMBL7994439 0.86 CYP1A2 (0.30) CYP1A2
SCHEMBL4333129 0.81 ALDH1A1 (0.35)
SCHEMBL7992356 0.80 CYP1A2 (0.33) CYP1A2SIGMAR1
SCHEMBL7992364 0.80 CYP1A2 (0.33) CYP1A2SIGMAR1
SCHEMBL866489 0.79

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