SCHEMBL8097950

SCHEMBL8097950

CCC1(c2ccc(Cl)c(C)c2N)OCCO1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAP3K14 Q99558 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
SCHEMBL8901195 0.74 CD44 (0.42)
SCHEMBL2361143 0.69 ALDH1A1 (0.52) CES1ALDH1A1
SCHEMBL30181379 0.69 ALDH1A1 (0.52) CES1ALDH1A1
SCHEMBL27609356 0.68 SMN1; SMN2 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL20551207 0.67 ALDH1A1 (0.50) CES1ALDH1A1
SCHEMBL20031368 0.65 CYP3A4 (0.38) ALDH1A1MAP3K14
SCHEMBL3202470 0.65 CYP2A6 (0.41) ALDH1A1
SCHEMBL16703643 0.65 BACE1 (0.31)
SCHEMBL28308896 0.65 HDAC4 (0.39)
SCHEMBL10083916 0.64 ALDH1A1 (0.50) CES1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973751-A1 PHENYL-AMINO-SULFONYL-UREA DERIVATIVES AS FUNGICIDES AND PESTICIDES BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998038172-A1 PHENYL-AMINO-SULFONYL-UREA DERIVATIVES AS FUNGICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed