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Sugi Predict / Compounds / SCHEMBL23802483

SCHEMBL23802483

SCHEMBL23802483

COCCCn1c2ccc(CC3CCCC3)cc2c2cc(C(=O)c3ccc(OC(=O)CCCCCCCC(=O)Oc4ccc(C(=O)c5ccc6c(c5)c5cc(C(=O)/C(CC7CCCC7)=N/OC(C)=O)ccc5n6CCCOC)cc4)cc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.37
▸ CNR2 P34972 4/20 0.36
▸ ITK Q08881 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CNR1 P21554 1/20 0.30

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
SCHEMBL23802449 0.95 CNR2 (0.39) CNR2ITKMEN1ALDH1A1LMNA
SCHEMBL23802469 0.93 CNR2 (0.38) CNR2ITKMEN1ALDH1A1LMNA
SCHEMBL23802442 0.90 CNR2 (0.42) CNR2ITKMEN1ALDH1A1LMNA
SCHEMBL25522254 0.89 CNR2 (0.35) CNR2MEN1ALDH1A1LMNAMAPT
SCHEMBL23802099 0.85 CNR2 (0.39) RORCCNR2MEN1ALDH1A1LMNA
SCHEMBL23802132 0.84 CNR2 (0.43) RORCCNR2ITKMEN1ALDH1A1
SCHEMBL23802416 0.80 CNR2 (0.40) CNR2CNR1
SCHEMBL23802446 0.79 CNR2 (0.46) CNR2CNR1
SCHEMBL23802425 0.77 CNR2 (0.38) CNR2LMNAMAPTHTTCNR1
SCHEMBL23802482 0.77 POLB (0.44) RORCCNR2ALDH1A1MAPTHTT

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-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 — — WO disclosed