SCHEMBL9254963

SCHEMBL9254963

O=C(O)C=Cc1cc(-c2ccsc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.49
ACMSD Q8TDX5 1/20 0.43
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2A6 P11509 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2B6 P20813 1/20 0.40
ERN1 O75460 2/20 0.40
GLO1 Q04760 1/20 0.39
GPR35 Q9HC97 2/20 0.38
PTPRF P10586 1/20 0.37
PTPN1 P18031 1/20 0.37
CHEK2 O96017 2/20 0.36
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL9254956 1.00 HCAR2 (0.49) HCAR2ACMSDMAPK1KMT2ACYP2A6
SCHEMBL18985250 0.81 HCAR2 (0.53) HCAR2MAPK1KMT2AHDAC3TNKS
SCHEMBL18985249 0.81 HCAR2 (0.53) HCAR2MAPK1KMT2AHDAC3TNKS
SCHEMBL5204967 0.77 HCAR2 (0.45) HCAR2MAPK1KMT2A
SCHEMBL5204964 0.77 HCAR2 (0.45) HCAR2MAPK1KMT2A
SCHEMBL5457564 0.77 ESR1 (0.52) HCAR2ACMSDMAPK1KMT2ACYP2A6
SCHEMBL6192775 0.75 ERN1 (0.50) ACMSDCYP2A6CYP2E1CYP2B6ERN1
SCHEMBL9254826 0.75 NPSR1 (0.51) HCAR2ACMSDMAPK1KMT2ACYP2A6
SCHEMBL9254831 0.75 NPSR1 (0.51) HCAR2ACMSDMAPK1KMT2ACYP2A6
SCHEMBL27537157 0.74 HCAR2 (0.41) HCAR2MAPK1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed