SCHEMBL8607378

SCHEMBL8607378

C=CC(=O)OC(CCCCCCCCCC)Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
NR5A1 Q13285 1/20 0.40
ALDH2 P05091 3/20 0.40
RARB P10826 3/20 0.38
THRA P10827 1/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B3 P37058 5/20 0.36
LTA4H P09960 1/20 0.36
CTRC Q99895 1/20 0.35

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
SCHEMBL12318121 0.99 THRB (0.44) THRBNR5A1ALDH2RARBTHRA
SCHEMBL10007107 0.95 THRB (0.47) THRBNR5A1ALDH2THRAHPGD
SCHEMBL2036314 0.87 RARB (0.51) THRBRARBTSHR
SCHEMBL8603370 0.85 MGLL (0.42) THRBHPGDTSHR
SCHEMBL32678535 0.85 THRB (0.46) THRBTHRATSHRCTRC
SCHEMBL32678537 0.85 THRB (0.46) THRBTHRATSHRCTRC
SCHEMBL32678536 0.85 THRB (0.46) THRBTHRATSHRCTRC
SCHEMBL16225741 0.85 RARB (0.51) THRBNR5A1RARBTSHR
SCHEMBL13296350 0.85 THRB (0.44) THRBHPGDTSHR
SCHEMBL11967006 0.84 THRB (0.44) THRBRARBTHRAHPGDTSHR

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-0830440-A1 LIQUID-CRYSTALLINE POLYMER MATERIAL Lagerwall, Sven Yngve Torbjörn (SE) 1998-03-25 EP disclosed
WO-1996024648-A1 LIQUID-CRYSTALLINE POLYMER MATERIAL LAGERWALL SVEN TORBJOERN (SE) 1996-08-15 WO disclosed