SCHEMBL7871491

SCHEMBL7871491

CCCCCCCCc1ccc(C(OC(c2ccc(CCCCCCCC)cc2)C2CO2)C2CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HTR2A P28223 2/20 0.46
SPHK1 Q9NYA1 7/20 0.45
SPHK2 Q9NRA0 4/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL10411867 1.00 THRA (0.49) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL27082092 1.00 THRA (0.49) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL9502745 0.94 THRA (0.41) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL8046083 0.83 SPHK2 (0.46) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL8660244 0.83 SPHK2 (0.46) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL11862422 0.82 MEN1 (0.36) THRATHRBALDH1A1TP53CYP3A4
SCHEMBL27990442 0.81 THRA (0.43) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL3242474 0.81 TSHR (0.40) SLC6A2SLC6A4SLC6A3TP53LPL
SCHEMBL3239492 0.79 THRA (0.49) THRATHRBHTR2ASPHK1SPHK2
SCHEMBL10345289 0.79 ACACB (0.36) ENPP2

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
US-20010055461-A1 METHOD FOR PRODUCING AN OPTICAL WAVEGUIDE NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 2001-12-27 US disclosed
EP-0943935-A2 Optical waveguide and method for production thereof Nippon Telegraph and Telephone Corporation (JP) 1999-09-22 EP disclosed