SCHEMBL7090946

SCHEMBL7090946

CCC(C)c1c[nH]c2ccc(Oc3c(C)cc([N+](=O)[O-])cc3C)cc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.51
THRB P10828 11/20 0.51
HTR2A P28223 2/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38

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
SCHEMBL22646577 0.92 THRA (0.52) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6511402 0.89 THRA (0.57) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7091134 0.86 THRA (0.56) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7085352 0.83 THRA (0.53) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7085611 0.83 THRA (0.53) THRATHRBHTR2ALTA4HPLA2G2A
SCHEMBL6515497 0.82 THRA (0.58) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7088361 0.82 HTR2A (0.46) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL7089493 0.81 LTA4H (0.51) THRATHRBHTR2AHTR2CMTNR1A
SCHEMBL6514286 0.80 THRA (0.62) THRATHRBHTR2AHTR2CHTR2B
SCHEMBL6514122 0.79 THRA (0.59) THRATHRBHTR2AHTR2CHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed