SCHEMBL7849211

SCHEMBL7849211

CCC(CC)(C(=O)O)C(=O)Oc1cccc2c(-c3ncc(C)o3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.33
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 2/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7855029 0.70 TDP1 (0.45) KMT2ANPC1GAARAB9AFAAH
SCHEMBL7839454 0.67 KMT2A (0.47) TYMSKMT2ANPC1GAARAB9A
SCHEMBL7854576 0.66 L3MBTL1 (0.40) KMT2AMAPTMEN1KDM4EGLA
SCHEMBL3750334 0.66 MEN1 (0.40) KMT2ANPC1GAARAB9AALDH1A1
SCHEMBL9510677 0.66 ALOX15 (0.50) KMT2ANPC1GAARAB9AALDH1A1
SCHEMBL8109553 0.65 ALDH1A1 (0.43) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL7848844 0.65 RXFP1 (0.37) KMT2ANPC1GAARAB9AALDH1A1
SCHEMBL5608091 0.64 TDP1 (0.52) KMT2AGAAALDH1A1MAPTMEN1
SCHEMBL12794312 0.63 EDNRB (0.39) KMT2ANPC1GAARAB9AFAAH
SCHEMBL453104 0.62 ELANE (0.46) RAB9AMAPTHPGDTDP1L3MBTL1

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
EP-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 WO disclosed