SCHEMBL5327992

SCHEMBL5327992

CCC(C)c1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.52
THRA P10827 9/20 0.52
TDP1 Q9NUW8 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RORC P51449 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8891500 0.89 THRA (0.65) THRBTHRA
SCHEMBL3229107 0.86 THRB (0.52) THRBTHRATDP1MAPTRORC
SCHEMBL5324895 0.81 THRB (0.54) THRBTHRARORC
SCHEMBL6268456 0.79 NR1H4 (0.45) THRBTHRATDP1NR1H4POLB
SCHEMBL22959316 0.77 NR1H4 (0.69) THRBTHRANR1H4ALDH1A1
SCHEMBL26982543 0.77 NR1H4 (0.50) THRBTHRANR1H4POLBMAPT
SCHEMBL8041378 0.76 SMN1; SMN2 (0.51) THRBTDP1POLBMAPTMAPK1
SCHEMBL3221689 0.76 THRA (0.57) THRBTHRA
SCHEMBL5327698 0.76 RORC (0.62) THRBTHRAMAPTRORC
SCHEMBL26982565 0.76 NR1H4 (0.44) THRBTHRATDP1NR1H4POLB

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-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed