SCHEMBL6775732

SCHEMBL6775732

CCCC(=O)Nc1cc(Cl)c(Oc2ccc(OC)c(SC(C)C)c2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.54
THRB P10828 6/20 0.54
MTNR1B P49286 3/20 0.46
MTNR1A P48039 1/20 0.45
POLB P06746 2/20 0.44
ESRRA P11474 1/20 0.44
MAPT P10636 1/20 0.44
EPHX1 P07099 3/20 0.44
EPHX2 P34913 3/20 0.44
CDYL Q9Y232 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRA P10827 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6769373 0.89 MTNR1B (0.47) RORCTHRBMTNR1BMTNR1AALDH1A1
SCHEMBL22959250 0.76 RORC (0.72) RORCTHRBTHRA
SCHEMBL6765878 0.75 THRB (0.52) RORCTHRBTHRA
SCHEMBL6775933 0.74 MTNR1B (0.46) RORCTHRBMTNR1BMEN1KMT2A
SCHEMBL22959193 0.73 RORC (0.74) RORCTHRBTHRA
SCHEMBL14886137 0.73 MAPT (0.67) POLBESRRAMAPTCDYLMEN1
SCHEMBL22959327 0.71 RORC (0.72) RORCTHRBALDH1A1THRA
SCHEMBL22959253 0.71 RORC (0.71) RORCTHRBTHRA
SCHEMBL6765992 0.71 AR (0.52) THRBMEN1KMT2ATHRA
SCHEMBL22959398 0.70 RORC (0.67) RORCTHRBMTNR1BTHRA

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-6723717-B1 CARDIAC-SPARING; SIDE EFFECT REDUCTION THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2004-04-20 US disclosed