SCHEMBL9360672

SCHEMBL9360672

O=C(Oc1ccc2ccccc2c1)[C@@H]1O[C@H]1c1ccccc1CCCCCCCCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 6/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL10445228 1.00 KMT2A (0.43) KMT2AALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL9360678 1.00 KMT2A (0.43) KMT2AALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL9480268 0.85 CETP (0.45) KMT2AALDH1A1L3MBTL1TSHRFABP7
SCHEMBL9357231 0.85 KMT2A (0.41) KMT2AALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL9480264 0.85 CETP (0.45) KMT2AALDH1A1L3MBTL1TSHRFABP7
SCHEMBL8923595 0.85 KMT2A (0.41) KMT2AALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL9356797 0.85 KMT2A (0.41) KMT2AALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL9184980 0.85 KMT2A (0.41) KMT2AALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL10446368 0.85 CETP (0.45) KMT2AALDH1A1L3MBTL1TSHRFABP7
SCHEMBL9356522 0.83 L3MBTL1 (0.39) KMT2AALDH1A1HSD17B10L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403250-B1 Phenylglycidamides useful for preparing alpha-hydroxy-beta-sulfido-arylpropionic acid derivatives SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP disclosed