SCHEMBL7310733

SCHEMBL7310733

C[C@@H]1C[C@@H](C)C(=O)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
PPM1B O75688 1/20 0.36
LMNA P02545 1/20 0.36
PPP1CC P36873 1/20 0.36
TFPI2 P48307 1/20 0.36
RAB9A P51151 1/20 0.36
PPP5C P53041 1/20 0.36
PPP1CA P62136 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
CA1 P00915 2/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL2168943 1.00 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL1330580 1.00 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL16003245 0.82 KDM4E (0.30) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL18789034 0.78 POLB (0.36)
SCHEMBL16657577 0.76
SCHEMBL18588303 0.76
SCHEMBL2692834 0.76
SCHEMBL7085873 0.71 CA1 (0.32) SMN1; SMN2CA1CA2CA4KMT2A
SCHEMBL18427530 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL7282746 0.71 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EGMNNPPM1BLMNA

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
EP-0105919-B1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0093084-B1 1-CARBOXYALKANOYLINDOLINE-2-CARBOXYLIC-ACID ESTERS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR THERAPEUTIC USE CIBA-GEIGY AG (CH) 1986-03-12 EP disclosed
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
EP-0093084-A1 1-Carboxyalkanoylindoline-2-carboxylic-acid esters, their preparation, pharmaceutical compositions containing them, and their therapeutic use CIBA-GEIGY AG (CH) 1983-11-02 EP disclosed
US-4401818-A HYPOTENSIVE AGENTS, CARDIOACTIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-08-30 US disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US disclosed
EP-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed