SCHEMBL7817420

SCHEMBL7817420

CC(C)C(=O)OOc1cccc(N2CCN(C(=O)c3ccncc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.48
AKR1C3 P42330 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
USP2 O75604 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KHK P50053 1/20 0.46
ROCK2 O75116 1/20 0.46
PLOD2 O00469 1/20 0.45
PLOD3 O60568 1/20 0.45

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
SCHEMBL7813660 0.91 MAPT (0.56) ALDH1A1SMN1; SMN2USP2MAPK1MAPT
SCHEMBL7811649 0.89 ALDH1A1 (0.72) ALDH1A1GAASMN1; SMN2MAPK1MAPT
SCHEMBL7811730 0.89 LMNA (0.50) ALDH1A1SMN1; SMN2USP2MAPK1MAPT
SCHEMBL7814066 0.88 ALDH1A1 (0.54) ALDH1A1GAASMN1; SMN2USP2MAPK1
SCHEMBL7813608 0.88 MAPT (0.57) ALDH1A1SMN1; SMN2AKR1C3MAPTLMNA
SCHEMBL7814074 0.88 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPK1MAPTLMNA
SCHEMBL7811456 0.88 MAPT (0.49) ALDH1A1SMN1; SMN2USP2MAPK1MAPT
SCHEMBL7810031 0.88 MAPT (0.49) ALDH1A1GAASMN1; SMN2USP2MAPK1
SCHEMBL7813961 0.87 KMT2A (0.51) ALDH1A1GAASMN1; SMN2CYP2C9CYP2C19
SCHEMBL7813616 0.85 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2USP2MAPK1

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