SCHEMBL28752008

SCHEMBL28752008

CCCCCc1c(O)c2ccc(OCCO)cc2oc1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 6/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
HSD17B10 Q99714 5/20 0.54
TSHR P16473 2/20 0.54
NQO1 P15559 1/20 0.53
STS P08842 1/20 0.53
MAP1LC3B Q9GZQ8 1/20 0.48
MAP1LC3A Q9H492 1/20 0.48
ALDH2 P05091 1/20 0.48
SRC P12931 1/20 0.48
SLC10A1 Q14973 1/20 0.48
HSD17B3 P37058 1/20 0.47
ACHE P22303 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL27599600 0.94 KDM4E (0.55) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL27599565 0.93 KDM4E (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL27582362 0.93 KDM4E (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL27599553 0.91 NQO1 (0.53) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL27582317 0.90 NQO1 (0.52) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL27582296 0.90 NQO1 (0.52) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL27599720 0.86 NQO1 (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6277695 0.85 ALDH2 (0.52) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6274722 0.85 MAP1LC3B (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6276950 0.84 ALDH2 (0.53) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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
CN-1473565-A Benzopyrany/derivatives and antiallergic agent ���ձ���ī��ѧ��ʽ���� 2004-02-11 CN disclosed