SCHEMBL8575623

SCHEMBL8575623

CC(=O)c1ccc(-c2ccc(-c3ccc(C(C)=O)s3)s2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.68
ALDH1A1 P00352 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
KDM4E B2RXH2 2/20 0.68
GAA P10253 2/20 0.68
GLA P06280 1/20 0.68
MAPT P10636 1/20 0.68
CYP3A4 P08684 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 1/20 0.54
GSK3B P49841 1/20 0.52
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
ERN1 O75460 2/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL12569052 1.00 LMNA (0.68) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL1356959 0.97 LMNA (0.70) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL3012845 0.89 KDM4E (0.61) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL1575023 0.87 LMNA (0.59) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL8572753 0.84 ALDH1A1 (0.96) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL20181377 0.84 ALDH1A1 (0.96) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL2872059 0.84 GSK3B (0.67) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL25094312 0.82 LMNA (0.61) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL4319368 0.82 ALDH1A1 (1.00) LMNAALDH1A1L3MBTL1KDM4EGAA
SCHEMBL25094267 0.82 LMNA (0.54) LMNAALDH1A1L3MBTL1KDM4EGAA

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-5753692-A PLANT EXTRACTS, IMMUNOSTIMULANTS TREATING IMMUNODEFICIENCY DISEASES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-19 US disclosed
US-5747525-A ANTITUMOR AGENTS OF OLIGOMERS OF THIOPHENE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-05 US disclosed
US-5602170-A ADMINISTERING ANTIIFLAMMATORY AGENT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-02-11 US disclosed