SCHEMBL9015057

SCHEMBL9015057

C=CCSCC=CCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TBXA2R P21731 2/20 0.43
MAPT P10636 4/20 0.42
PPARG P37231 3/20 0.42
CYP19A1 P11511 2/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RXRA P19793 1/20 0.42
OXER1 Q8TDS5 1/20 0.42
ABCC4 O15439 1/20 0.41
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 2/20 0.34
EPHX2 P34913 1/20 0.34
TERT O14746 3/20 0.33
PTPN1 P18031 3/20 0.33
BLM P54132 2/20 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
Succinic Acid SCHEMBL27363512 0.83 ALOX5 (0.58) ALOX5SMN1; SMN2TBXA2RMAPTALDH1A1
Azelaic Acid SCHEMBL28307577 0.77 ABCC4 (0.61) ALOX5SMN1; SMN2MAPTPPARGFFAR1
SCHEMBL10823289 0.76 MAPT (0.54) TBXA2RMAPTPPARGCYP19A1FFAR1
SCHEMBL10823290 0.76 MAPT (0.54) TBXA2RMAPTPPARGCYP19A1FFAR1
SCHEMBL176452 0.75 PPARG (0.64) TBXA2RMAPTPPARGCYP19A1FFAR1
SCHEMBL176453 0.75 PPARG (0.64) TBXA2RMAPTPPARGCYP19A1FFAR1
SCHEMBL2540034 0.75 PPARG (0.64) TBXA2RMAPTPPARGCYP19A1FFAR1
SCHEMBL2575705 0.74 ALDH1A1 (0.59) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL8017585 0.74 ALDH1A1 (0.59) MAPTPPARGCYP19A1FFAR1ALDH1A1
SCHEMBL2575707 0.74 ALDH1A1 (0.59) MAPTPPARGCYP19A1FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745071-A1 4-AMINO 6-SUBSTITUTED MYCOPHENOLIC ACID AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1996-12-04 EP disclosed
EP-0745075-A1 6-SUBSTITUTED MYCOPHENOLIC AND DERIVATIVES WITH IMMUNOSUPPRESSIVE ACTIVITY SYNTEX (U.S.A.) INC. (US) 1996-12-04 EP disclosed