SCHEMBL30658588

SCHEMBL30658588

O=C1c2c(ccc(O)c2O)OC(O)(c2ccccc2)C1(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
RECQL P46063 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 3/20 0.35
MAOA P21397 3/20 0.35
MAPK1 P28482 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALOX12 P18054 2/20 0.35
DAPK1 P53355 2/20 0.35
CYP1B1 Q16678 2/20 0.35
APEX1 P27695 2/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GNG2 P59768 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
SCHEMBL1068646 1.00 KDM4E (0.35) KDM4EMAPTRECQLMEN1ALDH1A1
SCHEMBL27441448 0.84 PLK1 (0.40) KDM4EMAPTRECQLMEN1ALDH1A1
SCHEMBL30689853 0.84 CA1 (0.39) KDM4EMAPTRECQLMEN1ALDH1A1
SCHEMBL3698500 0.84 CA1 (0.39) KDM4EMAPTRECQLMEN1ALDH1A1
SCHEMBL28686647 0.82 RIPK1 (0.33) KDM4EMAPTRECQLMEN1ALDH1A1
Flavanone SCHEMBL3438656 0.82 MAOB (0.53) KDM4EMAPTMEN1CYP3A4MAOA
SCHEMBL725961 0.80 MEN1 (0.31) KDM4EMAPTRECQLMEN1ALDH1A1
SCHEMBL29740777 0.76 HSP90AA1 (0.34) MAPTRECQLMEN1ALDH1A1CYP3A4
SCHEMBL727643 0.73 MAPT (0.40) MAPTRECQLALDH1A1CYP3A4HPGD
SCHEMBL28515636 0.73 ADAMTS4 (0.33) RECQLALDH1A1HPGDALOX15HSD17B10

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-2023230574-A1 ENGINEERED PHENYLALANINE AMMONIA LYASE AND TYROSINE AMMONIA LYASE ENZYMES FOR PRODUCING AROMATIC COMPOUNDS GINKGO BIOWORKS, INC. (US) 2023-11-30 WO disclosed