SCHEMBL5014968

SCHEMBL5014968

CCCCCCCCCCCCc1ccccc1OC(=O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.60
THRB P10828 1/20 0.60
NPSR1 Q6W5P4 1/20 0.50
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
ESR1 P03372 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47

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
SCHEMBL9735357 0.95 THRA (0.55) THRATHRBNPSR1PPARAPPARG
SCHEMBL28345751 0.90 THRA (0.64) THRATHRBNPSR1PPARAPPARG
SCHEMBL11579345 0.90 THRA (0.64) THRATHRBNPSR1PPARAPPARG
SCHEMBL8390875 0.90 THRA (0.64) THRATHRBNPSR1PPARAPPARG
SCHEMBL9511669 0.89 THRA (0.60) THRATHRBNPSR1PPARAPPARG
SCHEMBL11450808 0.89 THRB (0.59) THRATHRBNPSR1PPARAPPARG
SCHEMBL9799870 0.87 RARB (0.58) THRATHRBNPSR1PPARAPPARG
SCHEMBL9513365 0.87 THRA (0.57) THRATHRBNPSR1PPARAPPARG
SCHEMBL9506640 0.86 NPC1 (0.56) THRATHRBLMNACYP1A2CYP2D6
SCHEMBL9508417 0.86 NPC1 (0.56) THRATHRBLMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080202128-A1 Eutectic Plate FLANAGAN SEAN 2008-08-28 US disclosed
EP-1846705-A1 AN EUTECTIC PLATE Flanagan, Sean (GB) 2007-10-24 EP disclosed
WO-2006079828-A1 AN EUTECTIC PLATE FLANAGAN SEAN (GB) 2006-08-03 WO disclosed
US-4028118-A AN ELECTRON-DONATING CHROMATIC COMPOUND, A PHENOLIC COMPOUND, A HIGHER ALIPHATIC ALCOHOL AND ESTER PILOT INK CO., LTD. (JA) 1977-06-07 US disclosed