SCHEMBL6765992

SCHEMBL6765992

COc1ccc(Oc2c(C)cc(NC(=O)c3ccccc3)cc2C)cc1SC(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.52
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
ATM Q13315 1/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PGR P06401 2/20 0.47
KCNK9 Q9NPC2 1/20 0.45
MCHR1 Q99705 1/20 0.43
NLRP3 Q96P20 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6775933 0.85 MTNR1B (0.46) ARMEN1KMT2ATHRATHRB
SCHEMBL7584863 0.84 THRB (0.57) ARMEN1KMT2ARAB9AATM
SCHEMBL6769373 0.82 MTNR1B (0.47) THRATHRB
SCHEMBL22959249 0.73 RORC (0.73) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL28922759 0.72 RAB9A (0.66) ARMEN1KMT2ARAB9AATM
SCHEMBL6775732 0.71 RORC (0.54) MEN1KMT2ATHRATHRB
SCHEMBL6775887 0.70 THRB (0.36) MEN1KMT2ARAB9ANPC1MCHR1
SCHEMBL7097286 0.70 THRB (0.75) THRATHRB
SCHEMBL30958899 0.69 ATM (0.89) MEN1KMT2ARAB9AATMNPC1
SCHEMBL16343752 0.69 PGR (0.57) ARMEN1KMT2ARAB9ANPC1

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