SCHEMBL8096130

SCHEMBL8096130

CS(=O)(=O)C1CCC(C(=O)O)CC1.O=C1C=CC(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CCR6 P51684 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 2/20 0.33
DUSP3 P51452 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL22729320 0.82 LMNA (0.41) ALDH1A1MEN1KMT2ACYP2C9TSHR
SCHEMBL316039 0.80 GSK3A (0.41) ALDH1A1GSK3AGSK3BCCR6MEN1
SCHEMBL20561062 0.75 GSK3A (0.44) ALDH1A1GSK3AGSK3BCCR6TSHR
SCHEMBL4819951 0.75 PLG (0.43) ALDH1A1GSK3AGSK3BCCR6MEN1
SCHEMBL20002959 0.69 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL216544 0.68 GSK3A (0.61) ALDH1A1GSK3AGSK3BCCR6
SCHEMBL16892234 0.67 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL16892243 0.67 TSHR (0.34) TSHRSMN1; SMN2
Acetic Acid SCHEMBL29870582 0.65 GSK3A (0.65) GSK3AGSK3BCCR6
Acetic Acid SCHEMBL208214 0.65 GSK3A (0.65) GSK3AGSK3BCCR6

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-3071974-A2 MONITORING IMMUNOTHERAPY OF LEWY BODY DISEASE FROM CONSTIPATION SYMPTOMS Prothena Biosciences Limited (IE) 2016-09-28 EP disclosed
WO-2015075635-A2 MONITORING IMMUNOTHERAPY OF LEWY BODY DISEASE FROM CONSTIPATION SYMPTOMS PROTHENA BIOSCIENCES LIMITED (IE) 2015-05-28 WO disclosed
EP-1057025-A1 PROTEIN KINASE C Imperial Cancer Research Technology ( ICRT) (GB) 2000-12-06 EP disclosed
WO-1999042833-A1 PROTEIN KINASE C IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1999-08-26 WO disclosed