SCHEMBL8387983

SCHEMBL8387983

CCC(Oc1ccc(CCC=O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PPARG P37231 18/20 0.52
PPARA Q07869 18/20 0.52

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
SCHEMBL27596214 0.92 PPARA (0.55) SMN1; SMN2PPARGPPARA
SCHEMBL4729667 0.85 SMN1; SMN2 (0.50) SMN1; SMN2PPARGPPARA
SCHEMBL5830085 0.82 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARA
SCHEMBL8935911 0.81 PPARG (0.71) SMN1; SMN2PPARGPPARA
SCHEMBL8935920 0.81 PPARG (0.71) SMN1; SMN2PPARGPPARA
SCHEMBL6064663 0.81 PPARA (0.58) SMN1; SMN2PPARGPPARA
SCHEMBL2560636 0.81 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARA
SCHEMBL4731340 0.80 PPARA (0.51) SMN1; SMN2PPARGPPARA
SCHEMBL2891961 0.80 PPARG (0.67) SMN1; SMN2PPARGPPARA
SCHEMBL28381512 0.79 PPARA (0.72) SMN1; SMN2PPARGPPARA

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
US-5877296-A REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
US-5773001-A ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
US-5767285-A USEFUL FOR CONSTRUCTING DRUG CONJUGATES; ANTIBIOTIC ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-16 US disclosed
US-5739116-A DISULFIDE DERIVATIVE OF CALICHEAMICIN FAMILY; ANTITUMOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed