SCHEMBL9249489

SCHEMBL9249489

CCC(O)COC(=O)/C=C/C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.59
ATM Q13315 1/20 0.39
TSHR P16473 4/20 0.38
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8459108 1.00 HCAR2 (0.59) HCAR2ATMTSHRTP53EGLN1
SCHEMBL6049913 1.00 HCAR2 (0.59) HCAR2ATMTSHRTP53EGLN1
SCHEMBL8326024 0.92 HCAR2 (0.45) HCAR2ATMTSHRTDP1
SCHEMBL6049909 0.92 HCAR2 (0.45) HCAR2ATMTSHRTDP1
SCHEMBL11050380 0.92 HCAR2 (0.45) HCAR2ATMTSHRTDP1
SCHEMBL15794290 0.88 HCAR2 (0.56) HCAR2ATMTSHRTP53EGLN1
SCHEMBL15794287 0.88 HCAR2 (0.56) HCAR2ATMTSHRTP53EGLN1
SCHEMBL9347798 0.86 HCAR2 (0.55) HCAR2ATMTSHR
SCHEMBL8459106 0.85 HCAR2 (0.56) HCAR2ATMTSHRTDP1
Fumaric Acid SCHEMBL4881929 0.85 USP2 (0.44) HCAR2TSHRTP53EGLN1EGLN3

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
US-5451667-A SPORICIDES, MICROBIOCIDES SPEISER PETER P (CH) 1995-09-19 US disclosed
US-5149695-A Antipsoriatic, antimicrobial SPEISER PETER P (CH) 1992-09-22 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed
US-4851439-A TREATMENT OF PSORIASIS SPEISER PETER P (CH) 1989-07-25 US disclosed