SCHEMBL3165274

SCHEMBL3165274

C=C(C)C(=O)OC1COC1CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
BCHE P06276 3/20 0.35
THRB P10828 1/20 0.33
TSHR P16473 3/20 0.33
GPX4 P36969 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4138930 0.83 BCHE (0.35) ALDH1A1BCHENPC1MAPTHTT
SCHEMBL7613249 0.81 BCHE (0.34) ALDH1A1BCHE
SCHEMBL15999628 0.78 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL16265958 0.78 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL16120308 0.78 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL26738358 0.78 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL246035 0.77 ALDH1A1 (0.46) ALDH1A1BCHETSHRGPX4KDM4E
SCHEMBL27978342 0.76 BCHE (0.35) BCHETSHR
SCHEMBL10020944 0.75 ALDH1A1 (0.54) ALDH1A1THRBTSHR
SCHEMBL17222347 0.74 ALDH1A1 (0.35) ALDH1A1

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
EP-1505090-B1 REACTIVE DILUENT COMPOSITION AND CURABLE RESIN COMPOSITION NIPPON CATALYTIC CHEM IND (JP) 2010-03-31 EP disclosed
EP-1505090-A1 REACTIVE DILUENT COMPOSITION AND CURABLE RESIN COMPOSITION Nippon Shokubai Co., Ltd. (JP) 2005-02-09 EP disclosed
US-6767980-B2 ACTIVATED ENERGY RAY-CURABLE INK COMPOSITION FOR INK-JET PRINTING; VINYL ETHER GROUP-CONTAINING (METH)ACRYLIC ESTER NIPPON SHOKUBAI CO., LTD. (JP) 2004-07-27 US disclosed
US-20030199655-A1 Reactive diluent and curable resin composition NIPPON SHOKUBAI CO., LTD. 2003-10-23 US disclosed