SCHEMBL7809970

SCHEMBL7809970

COc1ccc(C(=O)N2CCC(O)(c3ccc(OC(C)(C)C(=O)O)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
POLB P06746 1/20 0.53
GRM3 Q14832 1/20 0.53
HPGD P15428 1/20 0.52
USP2 O75604 7/20 0.52
CYP3A4 P08684 6/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2C9 P11712 4/20 0.51
MAPK1 P28482 4/20 0.51
HIF1A Q16665 2/20 0.51
CYP2D6 P10635 6/20 0.50
TSHR P16473 3/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 2/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7814073 0.91 SMN1; SMN2 (0.49) SMN1; SMN2GRM3HPGDALDH1A1KDM4E
SCHEMBL7813630 0.88 ALDH1A1 (0.51) SMN1; SMN2CYP3A4ALDH1A1KDM4ECYP2C9
SCHEMBL7814388 0.88 ALDH1A1 (0.54) SMN1; SMN2POLBGRM3HPGDUSP2
SCHEMBL7817546 0.88 PPARD (0.49) SMN1; SMN2HPGDCYP3A4KDM4ETSHR
SCHEMBL7811927 0.84 PARP10 (0.53) SMN1; SMN2HPGDUSP2ALDH1A1KDM4E
SCHEMBL8161638 0.83 USP2 (0.67) SMN1; SMN2POLBGRM3HPGDUSP2
SCHEMBL7814142 0.83 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4ALDH1A1KDM4ECYP2C9
SCHEMBL7814122 0.82 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4ALDH1A1KDM4ECYP2C9
SCHEMBL7814125 0.81 ALDH1A1 (0.72) SMN1; SMN2HPGDUSP2CYP3A4ALDH1A1
SCHEMBL3642036 0.81 GRM3 (0.71) SMN1; SMN2POLBGRM3USP2CYP3A4

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
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed