SCHEMBL27368329

SCHEMBL27368329

CC(C)OC1(C)[CH]c2ccccc2OC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
TP53 P04637 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
SCHEMBL9532164 0.73 ABCG2 (0.36) CHRM2CHRM1CHRM3TP53
SCHEMBL22978927 0.70 ALOX5 (0.35) CHRM2CHRM1CHRM3
SCHEMBL9533561 0.68 HTR1A (0.33) CHRM2CHRM1CHRM3
SCHEMBL9533854 0.66 ABCG2 (0.36)
SCHEMBL10389872 0.66 CHRM2 (0.33) CHRM2CHRM1CHRM3TP53
SCHEMBL9531618 0.66 ABCG2 (0.32) CHRM2CHRM1CHRM3TP53
SCHEMBL9536178 0.66 HTR1A (0.31) CHRM2CHRM1CHRM3
SCHEMBL10390424 0.65 HTR1A (0.31) CHRM2CHRM1CHRM3
SCHEMBL9532312 0.63 ABCG2 (0.33)
SCHEMBL9532845 0.63 CHRM2 (0.31) CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1083483-A The preparation method of the phenylester that isocyanic acid replaces MITSUI PETROCHEMICAL IND (JP) 1994-03-09 CN disclosed
CN-1083484-A The preparation method of 1-hydroxyl-3-substituted phenylurea MITSUI PETROCHEMICAL IND (JP) 1994-03-09 CN disclosed
CN-1053426-A Process for producing 1-lower alkoxy-1-lower alkyl-3-substituted phenylurea, intermediate therefor, and process for producing intermediate MITSUI PETROCHEMICAL IND (JP) 1991-07-31 CN disclosed