SCHEMBL30862091

SCHEMBL30862091

CCCCC(=O)Cc1cccc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.58
CTBP2 P56545 1/20 0.54
FAAH O00519 1/20 0.51
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL29195968 1.00 EPHX2 (0.58) EPHX2CTBP2FAAHMTNR1AMTNR1B
SCHEMBL26444614 0.94 EPHX2 (0.66) EPHX2CTBP2FAAHHDAC1HDAC6
SCHEMBL10688946 0.94 EPHX2 (0.66) EPHX2CTBP2FAAHHDAC1HDAC6
SCHEMBL26444623 0.94 EPHX2 (0.66) EPHX2CTBP2FAAHHDAC1HDAC6
SCHEMBL3169034 0.91 CTBP2 (0.56) EPHX2CTBP2MTNR1AMTNR1BHDAC1
SCHEMBL26444945 0.87 EPHX2 (0.70) EPHX2FAAH
SCHEMBL31618812 0.85 CTBP2 (0.60) CTBP2MTNR1AMTNR1B
SCHEMBL5322203 0.85 CTBP2 (0.60) CTBP2MTNR1AMTNR1B
SCHEMBL4071390 0.85 CTBP2 (0.64) CTBP2MTNR1AMTNR1B
SCHEMBL9672750 0.83 CTBP2 (0.55) CTBP2MTNR1AMTNR1BHDAC1HDAC6

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-117924198-A Bioactive compounds and methods thereof 上海科因生物医药科技有限公司 2024-04-26 CN disclosed