SCHEMBL7046871

SCHEMBL7046871

C=C(C)CC(CC(=O)O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MME P08473 3/20 0.35
FOLH1 Q04609 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31

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
SCHEMBL584778 0.87 KMT2A (0.53) KMT2ACA1CA2TDP1MME
SCHEMBL11305374 0.83 KMT2A (0.47) KMT2ACA1CA2POLBTDP1
SCHEMBL8192827 0.82 KMT2A (0.43) KMT2ACA1CA2MMEFOLH1
SCHEMBL8192831 0.82 KMT2A (0.43) KMT2ACA1CA2MMEFOLH1
SCHEMBL8669431 0.79 KMT2A (0.47) KMT2ACA1CA2MMEFOLH1
SCHEMBL9514344 0.79 FOLH1 (0.48) TDP1MMEFOLH1SMN1; SMN2TSHR
SCHEMBL9725558 0.79 FOLH1 (0.48) TDP1MMEFOLH1SMN1; SMN2TSHR
SCHEMBL14826510 0.77 MME (0.45) KMT2ACA1CA2TDP1MME
SCHEMBL6053670 0.77 CA2 (0.55) KMT2ACA1CA2MMEFOLH1
SCHEMBL17092535 0.76 HPGD (0.42) KMT2ACA1CA2POLBTDP1

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-1042270-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2003-04-09 EP disclosed
US-6207853-B1 SUCCINIC ACID DERIVATIVE CHIROTECH TECHNOLOGY, INC. (GB) 2001-03-27 US disclosed
EP-1042270-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2000-10-11 EP disclosed
WO-1999031041-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-06-24 WO disclosed