SCHEMBL11005546

SCHEMBL11005546

CC(C)(C(=O)C(Br)Oc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 3/20 0.41
ALOX12 P18054 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CHRM1 P11229 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL11005358 0.87 ALDH1A1 (0.43) PPARASMN1; SMN2MAPTLMNAMEN1
SCHEMBL11004556 0.84 CNR1 (0.42) PPARAMAPTKMT2AALDH1A1MRGPRX4
SCHEMBL11511837 0.84 SMN1; SMN2 (0.51) PPARASMN1; SMN2MAPTLMNAMEN1
SCHEMBL11003980 0.82 OGG1 (0.44) MAPTLMNAKMT2AL3MBTL1PKM
SCHEMBL11001230 0.81 PPARA (0.43) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL11458964 0.80 SMN1; SMN2 (0.48) PPARASMN1; SMN2MAPTLMNAMEN1
SCHEMBL10389849 0.80 SMN1; SMN2 (0.48) PPARASMN1; SMN2LMNAL3MBTL1CYP1A2
SCHEMBL10391226 0.79 SMN1; SMN2 (0.53) PPARASMN1; SMN2LMNAL3MBTL1CYP1A2
SCHEMBL11002653 0.79 PPARG (0.43) PPARAMAPTMEN1KMT2ACYP1A2
SCHEMBL11160254 0.78 SMN1; SMN2 (0.49) PPARASMN1; SMN2MAPTLMNAMEN1

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
EP-0150499-A2 Substituted 3-azolyl butane derivatives, process for their preparation and agricultural and horticultural fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-08-07 EP disclosed