SCHEMBL19678763

SCHEMBL19678763

CCCCC(CC)Cn1c(C)c(-c2ccccc2C(=O)Oc2c(C)n(CCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.43
▸ CNR1 P21554 10/20 0.43
▸ SLC6A3 Q01959 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL18374177 0.90 CNR2 (0.51) CNR2CNR1SLC6A3LMNAKDM4E
SCHEMBL22958896 0.87 CNR2 (0.52) CNR2CNR1SLC6A3ALDH1A1
SCHEMBL18255590 0.82 CNR2 (0.50) CNR2CNR1SLC6A3ALDH1A1
SCHEMBL27589737 0.81 CNR2 (0.58) CNR2CNR1SLC6A3LMNAKDM4E
SCHEMBL22958846 0.80 KDM4E (0.41) CNR2CNR1ALDH1A1LMNAKDM4E
SCHEMBL19362900 0.77 CNR2 (0.51) CNR2CNR1SLC6A3CA2ALDH1A1
SCHEMBL29031145 0.77 CNR2 (0.54) CNR2CNR1SLC6A3LMNAKDM4E
SCHEMBL18942462 0.73 PADI4 (0.41) CNR2CNR1SLC6A3ALDH1A1
SCHEMBL17067960 0.72 KMT2A (0.45) ALDH1A1LMNAKDM4E
SCHEMBL29666216 0.70 BACE1 (0.49) CA2ALDH1A1CYP3A4KDM4E

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-2017210542-A1 CROSS-GENERA TARGET GENOME CAPTURE AND ANALYSIS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-12-07 — — WO disclosed
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