SCHEMBL7877375

SCHEMBL7877375

COc1c(C)c2c(c(O)c1CC=C1CCCC1CC(=O)O)C(=O)OC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH1 P20839 16/20 0.60
IMPDH2 P12268 13/20 0.60
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
UGT2B7 P16662 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL7877371 1.00 IMPDH1 (0.60) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL9084374 1.00 IMPDH1 (0.60) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1153362 1.00 IMPDH1 (0.60) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL8544680 0.97 IMPDH1 (0.58) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1153706 0.97 IMPDH1 (0.58) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1152618 0.91 IMPDH1 (0.73) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL8546506 0.91 IMPDH1 (0.58) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL7881557 0.89 IMPDH2 (0.56) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1152769 0.89 IMPDH2 (0.56) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1152764 0.89 IMPDH2 (0.56) IMPDH1IMPDH2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745075-B1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX LLC (US) 2001-12-05 EP disclosed
EP-0745073-B1 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID SYNTEX INC (US) 2000-07-12 EP disclosed
US-5554612-A IMMUNOSUPPRESSANTS, VIRICIDES, ANTITUMOR AND ANTIINFLAMMATORY AGENTS SYNTEX INC (US) 1996-09-10 US disclosed
US-5536747-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-07-16 US disclosed
US-5525602-A TREATING INFLAMMATORY DISEASES, PREVENTING ALLOGRAFT REJECTION, AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1996-06-11 US disclosed
US-5493030-A CHEMICAL INTERMEDIATES SYNTEX (U.S.A.) INC. (US) 1996-02-20 US disclosed
WO-1995022534-A1 4-AMINO 6-SUBSTITUTED MYCOPHENOLIC ACID AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
WO-1995022538-A1 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
WO-1995022536-A1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
US-5444072-A Useful in treatment of autoimmune disorders, psoriasis, inflammatory diseases, rheumatoid arthritis SYNTEX (U.S.A.) INC. (US) 1995-08-22 US disclosed