SCHEMBL246035

SCHEMBL246035

C=C(C)C(=O)OC1COC1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
BCHE P06276 4/20 0.34
GPX4 P36969 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL16265958 0.86 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL26738358 0.86 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL16120308 0.86 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL15999628 0.86 ALDH1A1 (0.47) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL18488745 0.86 ALDH1A1 (0.41) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL27846329 0.85 ALDH1A1 (0.53) ALDH1A1BCHETSHR
SCHEMBL17998608 0.81 BCHE (0.46) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL27943288 0.81 ALDH1A1 (0.40) ALDH1A1GPX4KDM4ENPC1POLB
SCHEMBL17998556 0.81 BCHE (0.46) ALDH1A1BCHEKDM4ENPC1POLB
SCHEMBL17998666 0.81 BCHE (0.46) ALDH1A1BCHEKDM4ENPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120002138-A1 Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit CHI-MEI CORPORATION 2012-01-05 US disclosed