SCHEMBL9807971

SCHEMBL9807971

CCC(=O)Oc1c(C/C=C(\C)CCC(=O)OC(C)N2CCOCC2)c(OC)c(C)c2c1C(=O)OC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 18/20 0.60
IMPDH1 P20839 17/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 2/20 0.60
ABCC4 O15439 1/20 0.60
NR1I2 O75469 1/20 0.60
ABCB11 O95342 1/20 0.60
SLC6A4 P31645 1/20 0.60
KCNH2 Q12809 1/20 0.60
PDE3A Q14432 1/20 0.60
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56

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
Hydrochloric Acid SCHEMBL9807980 0.99 IMPDH2 (0.59) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL9807879 0.94 IMPDH2 (0.69) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL9807873 0.94 IMPDH2 (0.69) IMPDH2IMPDH1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL10388809 0.93 IMPDH2 (0.68) IMPDH2IMPDH1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL10388808 0.93 IMPDH2 (0.68) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL9449187 0.92 IMPDH2 (0.60) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL9815242 0.92 ALDH1A1 (0.62) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL9815246 0.92 ALDH1A1 (0.62) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL9449345 0.92 ALDH1A1 (0.56) IMPDH2IMPDH1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL9815256 0.91 ALDH1A1 (0.61) IMPDH2IMPDH1ALDH1A1LMNAHPGD

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-0281713-B1 MORPHOLINOETHYLESTER OF MYCOPHENOLIC ACID AND DERIVATIVES THEREOF, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS SYNTEX (U.S.A.) INC. (US) 1991-10-09 EP disclosed
US-4992467-A Treating cardiac, pancreatic and renal allograft rejection and diabetes SYNTEX (U.S.A.) INC. (US) 1991-02-12 US disclosed
US-4952579-A TREATMENT OF LYMPHO-RETICULAR OR SOLID TUMORS SYNTEX (U.S.A.) INC. (US) 1990-08-28 US disclosed
US-4948793-A Treatment of autoimmune diseases with the morpholinoethyl ester of mycophenolic acid, and derivatives thereof SYNTEX (U.S.A.) INC. (US) 1990-08-14 US disclosed
US-4868153-A IMMUNOSUPPRESSION SYNTEX (U.S.A.) INC. (US) 1989-09-19 US disclosed
US-4808592-A ANTIBODY INHIBITORS; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-02-28 US disclosed
US-4786637-A IMMUNOSUPPRESSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0281713-A1 Morpholinoethylester of mycophenolic acid and derivatives thereof, their preparation and use in pharmaceutical compositions SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4753935-A ANTIBODY INHIBITORS; ANTITUMOR, ANTIINFLAMMATORY, ANTIVIRAL AND ANTIPSORIASIS AGENTS SYNTEX (U.S.A.) INC. (US) 1988-06-28 US disclosed