SCHEMBL30514010

SCHEMBL30514010

COc1ccc(C(=O)C2CCCCC2)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 10/20 0.70
KDM2B Q8NHM5 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP10 Q53GL7 1/20 0.48
GPR6 P46095 1/20 0.47

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
SCHEMBL1942608 1.00 CPS1 (0.70) CPS1KDM2BMEN1KMT2APARP10
SCHEMBL30513999 0.92 CPS1 (0.75) CPS1GPR6
SCHEMBL30323172 0.87 CPS1 (0.68) CPS1MEN1KMT2A
SCHEMBL20524600 0.87 CPS1 (0.68) CPS1MEN1KMT2A
Hydrochloric Acid SCHEMBL30323144 0.86 CPS1 (0.67) CPS1MEN1KMT2A
SCHEMBL4113759 0.84 MAPT (0.61) CPS1KDM2B
SCHEMBL10963872 0.82 CPS1 (0.81) CPS1GPR6
SCHEMBL5280460 0.82 KDM2B (0.49) CPS1KDM2BMEN1KMT2A
SCHEMBL30514001 0.81 CPS1 (0.72) CPS1KDM2BGPR6
SCHEMBL14477305 0.81 KDM2B (0.50) CPS1KDM2BMEN1KMT2A

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
CN-116496258-A Carboxylic acid compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-07-28 CN disclosed