SCHEMBL23466979

SCHEMBL23466979

COC(=O)Oc1ccc(C(CS)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ GPR88 Q9GZN0 1/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ HPGD P15428 2/20 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
SCHEMBL9728280 0.85 ELANE (0.54) FFAR1KMT2AMEN1LMNACYP3A4
SCHEMBL30463305 0.83 HDAC1 (0.49) CNR2CNR1GPR88KMT2AMEN1
SCHEMBL19133531 0.79 KMT2A (0.44) CNR2CNR1GPR88KMT2ACYP3A4
SCHEMBL25337336 0.79 FFAR1 (0.48) CNR2CNR1GPR88FFAR1KMT2A
SCHEMBL29250 0.78 HPGD (0.57) KMT2AMEN1LMNAHTTMTNR1A
SCHEMBL27496383 0.78 HPGD (0.57) KMT2AMEN1LMNAHTTMTNR1A
SCHEMBL9952401 0.78 FFAR1 (0.54) CNR2CNR1GPR88FFAR1KMT2A
SCHEMBL12722324 0.77 ALDH1A1 (0.50) CNR2CNR1KMT2AMEN1LMNA
SCHEMBL9728458 0.77 CNR2 (0.46) CNR2KMT2AMEN1MTNR1AMTNR1B
SCHEMBL6119949 0.77 FFAR1 (0.52) CNR2CNR1GPR88FFAR1KMT2A

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
WO-2021112062-A1 ALICYCLIC ACRYLATE COMPOUND, ALICYCLIC EPOXY ACRYLATE COMPOUND, CURABLE COMPOSITION, AND CURED ARTICLE ENEOS株式会社 2021-06-10 — — WO disclosed
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