SCHEMBL11272166

SCHEMBL11272166

CCOC(=O)C(C)(C)C(=O)C(Br)Oc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
PIN1 Q13526 1/20 0.38
MMP8 P22894 1/20 0.37
FBP1 P09467 1/20 0.37
NOTUM Q6P988 1/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL11272091 0.85 L3MBTL1 (0.39) TDP1PIN1MMP8ALDH1A1HTT
SCHEMBL11511178 0.81 TSHR (0.42) TDP1NOTUMHPGDALDH1A1TSHR
SCHEMBL11390990 0.81 HPGD (0.36) TDP1NOTUMHPGDTSHR
SCHEMBL11266219 0.80 MAPT (0.47) PIN1
SCHEMBL11539972 0.80 TDP1 (0.36) TDP1NOTUMHPGDALDH1A1TSHR
SCHEMBL11277518 0.80 PTGDR2 (0.44) ALDH1A1TSHR
SCHEMBL11281302 0.78 ALDH1A1 (0.44) TDP1FBP1ALDH1A1TSHR
SCHEMBL11271624 0.78 SMN1; SMN2 (0.47) TDP1FBP1HPGDTSHR
SCHEMBL11285398 0.78 CYP1A2 (0.40) TDP1FBP1HPGDALDH1A1HTT
SCHEMBL11282098 0.77 TSHR (0.37) TDP1FBP1ALDH1A1TSHR

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-4331674-A Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed