SCHEMBL5367199

SCHEMBL5367199

C=C(C)c1ccc(OC(C)(C)CCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAPT P10636 1/20 0.33
NR1I2 O75469 1/20 0.32
PPARA Q07869 3/20 0.31
PPARG P37231 2/20 0.31
FABP2 P12104 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL5361978 0.90 HDAC3 (0.37) ELANEHDAC3HDAC1HDAC2TSHR
SCHEMBL5353479 0.89 TP53 (0.36) ELANEHDAC3HDAC1HDAC2MAPT
SCHEMBL5355453 0.87 TP53 (0.39) MAPTTSHR
SCHEMBL5356109 0.87 TP53 (0.39) MAPTTSHR
SCHEMBL1997651 0.86 MAPT (0.34) ELANEHDAC3HDAC1HDAC2MAPT
SCHEMBL4980283 0.83 ELANE (0.39) ELANEHDAC3HDAC1HDAC2MAPT
SCHEMBL6691383 0.82 ELANE (0.38) ELANEHDAC3HDAC1HDAC2MAPT
SCHEMBL6692034 0.81 ELANE (0.37) ELANEHDAC3HDAC1HDAC2PPARA
SCHEMBL6689382 0.81 ELANE (0.37) ELANEHDAC3HDAC1HDAC2
SCHEMBL6692063 0.80 ELANE (0.36) ELANEPPARAPPARGL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202016-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2007-04-10 US disclosed
US-20050214680-A1 Radiation-sensitive resin composition MIYAJI MASAAKI 2005-09-29 US disclosed
US-6933094-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-08-23 US disclosed
US-20020058201-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-05-16 US disclosed
EP-1193558-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-04-03 EP disclosed