SCHEMBL7318930

SCHEMBL7318930

CC(C)C(CCCCCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KCNH2 Q12809 2/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
KCNJ1 P48048 1/20 0.42
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL27521151 0.81 ALDH1A1 (0.47) ALDH1A1KCNH2TSHRKMT2ALMNA
SCHEMBL7319532 0.81 MAPT (0.51) ALDH1A1KMT2ALMNAHPGDMAPT
SCHEMBL7940937 0.81 GRM8 (0.51) KCNH2TSHRKCNJ1SIGMAR1
SCHEMBL6943978 0.78 KCNH2 (0.45) KCNH2LMNA
SCHEMBL6943972 0.78 KCNH2 (0.45) KCNH2LMNA
SCHEMBL27847930 0.77 TSHR (0.54) ALDH1A1KCNH2TSHRKMT2ALMNA
SCHEMBL29059963 0.77 TSHR (0.47) ALDH1A1KCNH2TSHRKMT2ALMNA
SCHEMBL9954935 0.77 KCNH2 (0.51) ALDH1A1KCNH2TSHRLMNAKDM4E
SCHEMBL3097653 0.76 TSHR (0.61) ALDH1A1KCNH2TSHRKMT2ALMNA
SCHEMBL27502737 0.75 KMT2A (0.46) ALDH1A1KCNH2TSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262431-A Treating amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0275482-B1 PROLINE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1993-01-20 EP disclosed
US-5112847-A PROLINAL DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROLYL ENDOPEPTIDASE ONO PHARMACEUTICAL CO., LTD. (JP) 1992-05-12 US disclosed
US-4983624-A Anemia ONO PHARMACEUTICAL CO., LTD (JP) 1991-01-08 US disclosed
EP-0275482-A2 Proline derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-07-27 EP disclosed