SCHEMBL9011007

SCHEMBL9011007

COc1ccc(C(=O)N2CCN(c3ccccc3OC(C)(C)C(=O)O)CC2)cc1.Cc1ccc(C(=O)N2CCN(c3cccc(OOC(=O)C(C)C)c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 4/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 7/20 0.43
USP2 O75604 3/20 0.43
MAPK1 P28482 3/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NAMPT P43490 1/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9011228 0.87 HSP90AA1 (0.45) KMT2ASMN1; SMN2MEN1POLBTSHR
SCHEMBL9011034 0.86 NPSR1 (0.44) KMT2ASMN1; SMN2MEN1POLBTSHR
SCHEMBL7814066 0.83 ALDH1A1 (0.54) KMT2ASMN1; SMN2MEN1TSHRLMNA
SCHEMBL7811730 0.82 LMNA (0.50) SMN1; SMN2TSHRLMNANPSR1MAPT
SCHEMBL7810112 0.82 MEN1 (0.64) KMT2ASMN1; SMN2MEN1POLBTSHR
SCHEMBL7810142 0.80 POLB (0.60) KMT2ASMN1; SMN2MEN1POLBTSHR
SCHEMBL7804634 0.78 ALDH1A1 (0.60) KMT2ASMN1; SMN2MEN1TSHRLMNA
SCHEMBL7813660 0.78 MAPT (0.56) KMT2ASMN1; SMN2MEN1POLBTSHR
SCHEMBL7811727 0.77 PPARG (0.52) SMN1; SMN2TSHRLMNANPSR1MAPT
SCHEMBL9011142 0.77 MAPT (0.42) KMT2ASMN1; SMN2MEN1TSHRLMNA

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
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