SCHEMBL8038199

SCHEMBL8038199

C=CC(=O)OC(CCCC)Oc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1B P28222 2/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR1D P28221 1/20 0.38
ATM Q13315 1/20 0.37
PGR P06401 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL8041640 0.93 TSHR (0.40) THRATHRBKDM4EKMT2ATSHR
SCHEMBL9450840 0.80 THRB (0.44) THRATHRBKDM4EKMT2AALDH1A1
SCHEMBL9491739 0.80 THRB (0.43) THRATHRBTSHRCNR2HPGD
SCHEMBL10441457 0.79 THRA (0.37) THRATHRBKDM4EALDH1A1HPGD
SCHEMBL1561008 0.78 ALDH1A1 (0.43) KDM4EKMT2AL3MBTL1TSHRALDH1A1
SCHEMBL8028264 0.78 KDM4E (0.42) THRATHRBKDM4EKMT2AL3MBTL1
SCHEMBL8041642 0.77 PPARG (0.49) THRATHRBKDM4EKMT2AL3MBTL1
SCHEMBL10441454 0.77 L3MBTL1 (0.39) THRATHRBL3MBTL1TSHRALDH1A1
SCHEMBL8040122 0.76 THRB (0.45) THRATHRBTSHRCNR2ALDH1A1
SCHEMBL27662670 0.76 KDM4E (0.47) KDM4EKMT2AHTR1BTSHRCNR1

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed