SCHEMBL27599720

SCHEMBL27599720

CCC(C)CCCc1c(O)c2ccc(OCCO)cc2oc1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 7/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
HSD17B10 Q99714 5/20 0.45
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6274233 0.87 SIRT1 (0.43) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL28752008 0.86 KDM4E (0.56) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL27582342 0.84 NQO1 (0.51) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL27582284 0.83 NQO1 (0.50) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL27582290 0.81 NQO1 (0.50) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL27599600 0.81 KDM4E (0.55) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL27582362 0.80 KDM4E (0.54) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL27599565 0.80 KDM4E (0.54) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL28749835 0.78 NQO1 (0.45) NQO1KDM4EALDH1A1HPGDRAB9A
SCHEMBL27599553 0.78 NQO1 (0.53) NQO1KDM4EALDH1A1HPGDRAB9A

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