SCHEMBL9011573

SCHEMBL9011573

CCCCCOc1cc2c(cc1Br)c1cc(OCCCCC)c(OCCCCC)cc1c1cc(OCCCCC)c(OCCCCC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
SMPD1 P17405 4/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL30984506 0.98 THRA (0.45) THRATHRBSMPD1PDE3BPDE3A
SCHEMBL9011621 0.98 THRA (0.43) THRATHRBSMPD1PDE3BPDE3A
SCHEMBL12485109 0.96 THRA (0.46) THRATHRBSMPD1S1PR2S1PR1
SCHEMBL12483379 0.96 THRA (0.46) THRATHRBSMPD1S1PR2S1PR1
SCHEMBL8974077 0.90 SMPD1 (0.49) THRATHRBSMPD1PDE3BPDE3A
SCHEMBL2038965 0.88 THRA (0.47) THRATHRBSMPD1S1PR2S1PR1
SCHEMBL2201723 0.88 TLR8 (0.43) THRBSMPD1PDE3BPDE3AMEN1
SCHEMBL339836 0.86 THRA (0.49) THRATHRBSMPD1S1PR2S1PR1
SCHEMBL197292 0.86 THRA (0.49) THRATHRBSMPD1S1PR2S1PR1
SCHEMBL2053781 0.86 THRA (0.49) THRATHRBSMPD1S1PR2S1PR1

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
EP-0742197-A1 Triphenylenederivatives BASF AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed