SCHEMBL28751968

SCHEMBL28751968

CCC=Cc1c(O)c2c(OCCCCO)cccc2oc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.42
▸ NMT2 O60551 7/20 0.39
▸ NMT1 P30419 7/20 0.39
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SENP7 Q9BQF6 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL27582286 0.93 NQO1 (0.43) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL27599641 0.87 ALDH1A1 (0.43) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL27582302 0.85 NQO1 (0.39) NQO1NMT2NMT1MAPTMEN1
SCHEMBL27599751 0.85 NQO1 (0.44) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL27599606 0.83 NQO1 (0.39) NQO1MAPTMEN1KMT2ACYP2A6
SCHEMBL6272765 0.83 NQO1 (0.40) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6272764 0.83 NQO1 (0.40) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6276006 0.79 NQO1 (0.45) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL27582282 0.79 NQO1 (0.44) NQO1NMT2NMT1ADRB2ADRB1
SCHEMBL6272553 0.78 NQO1 (0.44) NQO1CYP2A6ALDH1A1

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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