SCHEMBL3448685

SCHEMBL3448685

O=C(CC1CC1)OCCBr

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL5265179 0.87 GABRA5 (0.43)
SCHEMBL28401685 0.84
SCHEMBL12224105 0.78 PPM1B (0.43) L3MBTL1ALDH1A1
SCHEMBL11690602 0.77 SMN1; SMN2 (0.47)
SCHEMBL5947153 0.75 GLS (0.47) HPGD
SCHEMBL9855163 0.75 NAAA (0.48) L3MBTL1ALDH1A1HPGD
SCHEMBL6019680 0.75 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL17395272 0.75
Hydrochloric Acid SCHEMBL30505304 0.74 CYP3A4 (0.48) ALDH1A1KMT2AMAPK1
SCHEMBL2721040 0.73

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
WO-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed