SCHEMBL8174352

SCHEMBL8174352

Cn1nc(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.44
CRHR1 P34998 7/20 0.40
ALDH1A1 P00352 1/20 0.40
NOTUM Q6P988 1/20 0.39

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
SCHEMBL8163320 0.87 HSD11B1 (0.45) HSD11B1CRHR1NOTUM
SCHEMBL8168903 0.79 PTGS1 (0.38) ALDH1A1NOTUM
SCHEMBL8172661 0.79 NOTUM (0.35) NOTUM
SCHEMBL8169618 0.77 NOTUM (0.34) NOTUM
SCHEMBL12859389 0.77 HSD11B1 (0.45) HSD11B1CRHR1
SCHEMBL8569766 0.75 HSD11B1 (0.47) HSD11B1NOTUM
SCHEMBL7894519 0.74 NOTUM (0.32) HSD11B1NOTUM
SCHEMBL8172631 0.74 ALDH1A1 (0.35) HSD11B1ALDH1A1NOTUM
SCHEMBL7778111 0.72 PTGS2 (0.47)
SCHEMBL8169536 0.72 NOTUM (0.34) ALDH1A1NOTUM

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-6054412-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed