SCHEMBL9449376

SCHEMBL9449376

CCC(=O)Oc1c(C/C=C(\C)CCC(=O)OCCN2CCCC2)c(OC)c(C)c2c1C(=O)OC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
LMNA P02545 2/20 0.71
HPGD P15428 2/20 0.71
ABCC4 O15439 1/20 0.71
NR1I2 O75469 1/20 0.71
ABCB11 O95342 1/20 0.71
SLC6A4 P31645 1/20 0.71
KCNH2 Q12809 1/20 0.71
PDE3A Q14432 1/20 0.71
IMPDH2 P12268 18/20 0.60
IMPDH1 P20839 15/20 0.60
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 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
SCHEMBL9449381 1.00 ALDH1A1 (0.71) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807970 0.94 ALDH1A1 (0.81) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL9807972 0.94 ALDH1A1 (0.81) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9807986 0.93 ALDH1A1 (0.80) ALDH1A1LMNAHPGDABCC4NR1I2
Hydrochloric Acid SCHEMBL9807983 0.93 ALDH1A1 (0.80) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1153725 0.90 ALDH1A1 (0.68) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1153722 0.90 ALDH1A1 (0.68) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1152322 0.89 ALDH1A1 (0.87) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1152328 0.89 ALDH1A1 (0.87) ALDH1A1LMNAHPGDABCC4NR1I2
SCHEMBL1151899 0.89 ALDH1A1 (0.81) ALDH1A1LMNAHPGDABCC4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5177072-A Treatment of autoimmune inflammatory, and psoriatic diseases with heterocyclic aminoalkyl esters of mycophenolic acid and derivatives SYNTEX (U.S.A.) INC. (US) 1993-01-05 US disclosed
US-4861776-A Heterocyclic aminoalkyl esters of mycophenolic acid and derivatives thereof, compositions and use SYNTEX (U.S.A) INC. (US) 1989-08-29 US disclosed
US-4748173-A IMMUNOSUPRESSIVE, ANTIINFLAMMATORY, ANTITUMOR, ANTIVIRAL, AND ANTIPSORIASIS AGENTS SYNTEX (U.S.A.) INC. (US) 1988-05-31 US disclosed
US-4727069-A ANTIBODY INHIBITORS, ANTIINFLAMMATORY, ANTITUMOR AGENTS, VIRICIDES, AND ANTIPSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-02-23 US disclosed