SCHEMBL11117232

SCHEMBL11117232

C=C(CC)C(=O)c1cc2cc(OC(=O)O)oc2cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC3 O15438 1/20 0.33
PLIN1 O60240 1/20 0.33
TP53 P04637 1/20 0.33
GSTA1 P08263 1/20 0.33
HSPD1 P10809 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MAP2K6 P52564 1/20 0.33
HSPE1 P61604 1/20 0.33
GSTO1 P78417 1/20 0.33
PLIN5 Q00G26 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL11119025 0.86 PAX8 (0.41) GSTP1LMNAMAPTALDH1A1MEN1
SCHEMBL11118115 0.86 MAPT (0.36) GSTP1LMNAMAPTALDH1A1CYP3A4
Furacrinic Acid SCHEMBL11008170 0.81 LMNA (0.42) GSTP1LMNAMAPTALDH1A1MEN1
SCHEMBL1818474 0.73 KMO (0.38) LMNAMAPTALDH1A1MEN1TP53
SCHEMBL11010398 0.68 LMNA (0.45) GSTP1LMNAMAPTALDH1A1MEN1
SCHEMBL11010487 0.65 LMNA (0.48) GSTP1LMNAMAPTALDH1A1TP53
SCHEMBL6242111 0.65 KDM4E (0.41) MAPTALDH1A1MEN1TSHRHTT
SCHEMBL11117277 0.63 RECQL (0.32) GSTP1LMNAMAPTALDH1A1MEN1
SCHEMBL6545814 0.62 FLT3 (0.54) LMNAALDH1A1MAOBMAOACA9
SCHEMBL6240383 0.61 KDM4E (0.58) MAPTALDH1A1MEN1TP53KMT2A

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
EP-0122882-A1 Steroids of the 20-spiroxan series, process for their preparation, pharmaceutical compositions containing them and use of these compositions CIBA-GEIGY AG (CH) 1984-10-24 EP disclosed
EP-0011818-B1 MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS BASED ON ALDOSTERONE ANTAGONISTS AND DIURETICS AND PROCESS FOR THEIR MANUFACTURE CIBA-GEIGY AG (CH) 1983-01-19 EP disclosed
EP-0011818-A1 Medicaments and pharmaceutical compositions based on aldosterone antagonists and diuretics and process for their manufacture CIBA-GEIGY AG (CH) 1980-06-11 EP disclosed