SCHEMBL7302260

SCHEMBL7302260

O=C(C[C@@H](Cc1ccccc1)C(=O)O)NCCCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.52
SIRT5 Q9NXA8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ANPEP P15144 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
RAB9A P51151 1/20 0.49
CPA1 P15085 2/20 0.49
CPB1 P15086 1/20 0.49
CPA3 P15088 1/20 0.49
CPB2 Q96IY4 1/20 0.49
THRB P10828 1/20 0.48
MAPT P10636 1/20 0.48
MMP8 P22894 1/20 0.48

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
SCHEMBL7278126 0.84 ALDH1A1 (0.62) L3MBTL1HPGDALDH1A1LMNAGAA
SCHEMBL7280357 0.83 LMNA (0.51) L3MBTL1HPGDALDH1A1KMT2ALMNA
SCHEMBL9554486 0.78 CPA1 (0.60) KMT2ALMNACPA1CPB1CPA3
SCHEMBL9554490 0.78 CPA1 (0.60) KMT2ALMNACPA1CPB1CPA3
SCHEMBL7280897 0.78 SMN1; SMN2 (0.61) L3MBTL1HPGDALDH1A1KMT2ALMNA
SCHEMBL7346172 0.78 CYP1A2 (0.77) ALDH1A1ANPEPERAP2ERAP1CPA1
SCHEMBL2804430 0.77 CPA1 (0.63) LMNACPA1CPB1CPA3CPB2
SCHEMBL7298841 0.76 KMT2A (0.48) KDM4EHPGDALDH1A1KMT2ALMNA
SCHEMBL7280848 0.75 LMNA (0.63) KDM4EHPGDALDH1A1KMT2ALMNA
SCHEMBL7295898 0.75 KMT2A (0.58) KDM4EHPGDALDH1A1KMT2AMAPT

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-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed