SCHEMBL26344705

SCHEMBL26344705

C=C(C)C(=O)OC1CC(CC)CC1CC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
THRB P10828 1/20 0.33
TSHR P16473 3/20 0.32
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
SCHEMBL23494203 0.85 ALDH1A1 (0.35) ALDH1A1THRBTSHRKDM4ENPC1
SCHEMBL18923166 0.83 ALDH1A1 (0.34) ALDH1A1THRBTSHR
SCHEMBL6073033 0.78
SCHEMBL27715801 0.78 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL20475900 0.78 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL26344692 0.77 ALDH1A1 (0.49) ALDH1A1THRBTSHR
SCHEMBL27695946 0.76 THRB (0.33) ALDH1A1THRB
SCHEMBL28225030 0.75 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL29142899 0.75
SCHEMBL1961330 0.75 ALDH1A1 (0.35) ALDH1A1THRBTSHR

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-20230305397-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION ZEON CORPORATION (JP) 2023-09-28 US disclosed