SCHEMBL8206511

SCHEMBL8206511

COc1c(C)c2c(c(O)c1C/C=C1\CCCC[C@H]1[C@H](C)C(=O)O)C(=O)OC2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH1 P20839 17/20 0.79
IMPDH2 P12268 14/20 0.79
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
UGT2B7 P16662 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL8206728 1.00 IMPDH1 (0.79) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1152849 1.00 IMPDH1 (0.79) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL8212537 0.97 IMPDH1 (0.83) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL8206043 0.97 IMPDH1 (0.83) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1152729 0.97 IMPDH1 (0.83) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL29463176 0.97 IMPDH1 (0.83) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1153350 0.87 IMPDH1 (0.68) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1152538 0.86 IMPDH1 (0.64) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL8544680 0.84 IMPDH1 (0.58) IMPDH1IMPDH2KDM4EALDH1A1LMNA
SCHEMBL1153706 0.84 IMPDH1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745073-B1 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID SYNTEX INC (US) 2000-07-12 EP disclosed
US-5633279-A 5-substituted derivatives of mycophenolic acid SYNTEX (U.S.A.) INC. (US) 1997-05-27 US disclosed
US-5493030-A CHEMICAL INTERMEDIATES SYNTEX (U.S.A.) INC. (US) 1996-02-20 US disclosed