SCHEMBL27599601

SCHEMBL27599601

CC=Cc1c(O)c2cccc(OCCC(O)CO)c2oc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CNR2 P34972 4/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL27582351 0.87 ADORA3 (0.39) MEN1KMT2AALDH1A1SENP7HPGD
SCHEMBL27582363 0.86 SENP7 (0.38) MEN1KMT2AALDH1A1SENP7HPGD
SCHEMBL27599589 0.85 CNR2 (0.36) CNR2
SCHEMBL27599596 0.84 NQO1 (0.40) MEN1KMT2AALDH1A1SENP7HPGD
SCHEMBL6275923 0.84 CNR2 (0.32) MEN1KMT2ACNR2ADORA3ADORA2A
SCHEMBL6275919 0.84 CNR2 (0.32) MEN1KMT2ACNR2ADORA3ADORA2A
SCHEMBL6277742 0.82 MAOA (0.39) MEN1KMT2AADORA3KDM4ECYP1A2
SCHEMBL6271376 0.81 ADORA3 (0.38) MEN1KMT2AALDH1A1CNR2ADORA3
SCHEMBL27582280 0.78 VKORC1 (0.53) —
SCHEMBL6270707 0.78 CNR2 (0.40) CNR2

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
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