SCHEMBL23932135

SCHEMBL23932135

CCOC(=O)[C@H]1CCC(OCC)=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TLR4 O00206 1/20 0.43
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL183877 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL24359191 0.88 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL2476888 0.85 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL31544797 0.84 TLR4 (0.39) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5227279 0.82 NPC1 (0.33) ALDH1A1MAPTKDM4ERAB9A
SCHEMBL13039618 0.75 NPC1 (0.41) KMT2AMEN1RAB9ALMNA
SCHEMBL9718446 0.75 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4773759 0.74 NPC1 (0.37) RAB9ALMNA
SCHEMBL1134463 0.73 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL24249958 0.73 TLR4 (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E

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
WO-2021216770-A1 SUBSTITUTED TETRAHYDROQUINAZOLINE COMPOUNDS AS KRAS INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2021-10-28 WO disclosed