SCHEMBL7551271

SCHEMBL7551271

CC(C)(C)OC(=O)NCS(=O)(=O)C1=CC(c2ccccc2)Cc2c1ccc(OC(=O)C(C)(C)C)c2OC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ACACB O00763 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
ELANE P08246 5/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7315264 0.85 KDM4A (0.36) DRD2CA12CA1CA7CA14
SCHEMBL8829266 0.78 ELANE (0.34) MAPTELANELMNANPSR1
Hydrochloric Acid SCHEMBL7309711 0.78 ELANE (0.34) MAPTELANELMNANPSR1
SCHEMBL7446408 0.75 DRD2 (0.35) DRD2ACACBMAPTKDM1AMAOB
Hydrochloric Acid SCHEMBL7447474 0.74 DRD2 (0.35) DRD2ACACBMAPTKDM1AMAOB
SCHEMBL7548189 0.72 NPC1 (0.38) LMNAALDH1A1PKMTSHRSMN1; SMN2
SCHEMBL7311250 0.70 ACHE (0.33) ELANE
SCHEMBL7447921 0.68 KMT2A (0.38) ATMKMT2A
SCHEMBL7447927 0.68 KMT2A (0.38) ATMKMT2A
Hydrochloric Acid SCHEMBL7440751 0.68 KMT2A (0.37) ATMKMT2A

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-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed