SCHEMBL14477993

SCHEMBL14477993

Cc1cc(O)c(C(C)C)cc1C(c1ccc2cc(C(c3cc(C(C)C)c(O)cc3C)c3cc(C(C)C)c(OC(=O)OC(C)(C)C)cc3C)ccc2c1)c1cc(C(C)C)c(O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.34
THRB P10828 4/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
ELANE P08246 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PKM P14618 1/20 0.32
CA2 P00918 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
SCHEMBL14477995 0.85 THRA (0.38) THRATHRBGAAMAPTLMNA
SCHEMBL12415068 0.80 LMNA (0.47) THRBGAAMAPTLMNANPSR1
SCHEMBL14477991 0.74 GAA (0.36) THRATHRBGAAMAPTLMNA
SCHEMBL14477992 0.74 GAA (0.36) THRATHRBGAAMAPTLMNA
SCHEMBL14477996 0.74 GAA (0.36) THRATHRBGAAMAPTLMNA
SCHEMBL14421093 0.72 MAPT (0.40) THRBGAAMAPTLMNANPSR1
SCHEMBL14477994 0.70 HSP90AA1 (0.33) LMNACYP1A2
SCHEMBL14477990 0.70 HSP90AA1 (0.33) LMNACYP1A2
SCHEMBL12415097 0.70 HSP90AA1 (0.33) LMNACYP1A2
SCHEMBL17340709 0.70 ELANE (0.54) GAAMAPTELANELMNACYP1A2

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-20130004896-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION SPECIFICATION ECHIGO MASATOSHI (JP) 2013-01-03 US disclosed