SCHEMBL27582302

SCHEMBL27582302

CCCCCCC=Cc1c(O)c2c(OCCCO)cccc2oc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.39
▸ SLC37A4 O43826 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ CES1 P23141 1/20 0.35
▸ DAGLA Q9Y4D2 1/20 0.35
▸ POLM Q9NP87 1/20 0.35
▸ POLK Q9UBT6 1/20 0.35

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
SCHEMBL27599606 0.96 NQO1 (0.39) NQO1SLC37A4MEN1NR1I2LMNA
SCHEMBL27599655 0.89 POLM (0.36) NQO1SLC37A4FAAHPOLMPOLK
SCHEMBL27599591 0.85 CNR2 (0.39) SLC37A4MEN1NR1I2LMNACHRM2
SCHEMBL6277171 0.84 NQO1 (0.38) NQO1
SCHEMBL6277169 0.84 NQO1 (0.38) NQO1
SCHEMBL27599751 0.84 NQO1 (0.44) NQO1MEN1MAPTKMT2ACYP2A6
SCHEMBL27582286 0.83 NQO1 (0.43) NQO1MEN1MAPTKMT2ACYP2A6
SCHEMBL27582293 0.82 ALDH1A1 (0.46) LMNACYP3A4MAPT
SCHEMBL27599683 0.82 GPR35 (0.39) NQO1MEN1LMNAKMT2AFAAH
SCHEMBL27599784 0.81 CNR2 (0.39) SLC37A4MEN1NR1I2LMNACHRM2

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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