SCHEMBL6694535

SCHEMBL6694535

C=C(C)c1ccc(OC(C)(OCC)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
PARP10 Q53GL7 1/20 0.31
MAPT P10636 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL6689024 0.88 L3MBTL1 (0.33) MAPTALDH1A1
SCHEMBL6695737 0.86 GAA (0.35) CYP1A2TSHRMAPT
SCHEMBL6690539 0.84 TP53 (0.39) TSHRMAPT
SCHEMBL6690485 0.83 PPARA (0.34) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL6694229 0.83 TP53 (0.41) TSHRMAPT
SCHEMBL6697868 0.81 MAPT (0.37) PPARAMAPTALDH1A1
SCHEMBL6691449 0.81 OPRK1 (0.33) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL6689009 0.80 MAPT (0.33) PPARAMAPT
SCHEMBL6692034 0.78 ELANE (0.37) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL6694144 0.78 ABCB11 (0.31) ABCB11CYP1A2CYP3A4TSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959389-B1 Diazodisulfone compound and radiation-sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6143460-A PHOTOACID GENERATOR PROVIDING IMPROVED PHOTORESIST RESOLUTION JSR CORPORATION (JP) 2000-11-07 US disclosed
EP-0959389-A1 Diazodisulfone compound and radiation-sensitive resin composition JSR Corporation (JP) 1999-11-24 EP disclosed