SCHEMBL8935691

SCHEMBL8935691

CCC(Oc1ccc(C)cc1C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
PPARG P37231 3/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.46
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PPARD Q03181 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL8935696 1.00 PPARA (0.61) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL8935915 0.87 SMN1; SMN2 (0.62) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL8935907 0.87 SMN1; SMN2 (0.62) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL1245354 0.86 PPARA (0.60) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL2597640 0.84 TSHR (0.66) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL4816920 0.84 PPARA (0.59) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL2210931 0.84 TSHR (0.66) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL660084 0.84 PPARA (0.59) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL5861893 0.83 PPARA (0.57) PPARASMN1; SMN2PPARGPTGDR2TSHR
SCHEMBL5860631 0.82 PPARA (0.56) PPARASMN1; SMN2PPARGPTGDR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 US disclosed