SCHEMBL11138643

SCHEMBL11138643

CCCCCCCCOc1cc(C(C)(C)C)c(OCCCCCCCC)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
ESR1 P03372 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR8 Q9NR97 1/20 0.41
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR5A1 Q13285 1/20 0.40

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
SCHEMBL13341488 1.00 THRA (0.51) THRATHRBESR1HTTL3MBTL1
SCHEMBL6232233 0.92 THRA (0.43) THRATHRBESR1HTTL3MBTL1
SCHEMBL11428493 0.91 THRA (0.46) THRATHRBTLR8MEN1NR1I2
SCHEMBL8956169 0.90 ALOX15 (0.54) THRATHRBESR1LMNACYP3A4
SCHEMBL11419539 0.90 ALOX15 (0.54) THRATHRBESR1LMNACYP3A4
SCHEMBL8956466 0.86 THRA (0.48) THRATHRBESR1LMNACYP3A4
SCHEMBL21689793 0.85 PTGS1 (0.41) THRATHRBHTTL3MBTL1TLR8
SCHEMBL5847066 0.85 MAPT (0.45) THRATHRBESR1HTTTLR8
SCHEMBL12433812 0.84 THRA (0.55) THRATHRBHTTLMNA
SCHEMBL12433815 0.84 THRA (0.43) THRATHRBESR1HTTL3MBTL1

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-4390617-A GROUP 1A OR 2A PHOSPHATE OR PHOSPHITE AS A BASE GENERATING AGENT KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-06-28 US disclosed