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SCHEMBL23802425

SCHEMBL23802425

CCCCOC(=O)Oc1ccc(C(=O)c2ccc3c(c2)c2cc(C(=O)/C(CC4CCCC4)=N/O)ccc2n3CCCn2c3ccc(C(=O)/C(CC4CCCC4)=N/OC(C)=O)cc3c3cc(C(=O)c4ccc(OC(=O)OCCCC)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.38
▸ CNR1 P21554 2/20 0.35
▸ SCARB1 Q8WTV0 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ NPC1 O15118 3/20 0.31

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
SCHEMBL23802416 0.97 CNR2 (0.40) CNR2CNR1SCARB1NPC1
SCHEMBL25515701 0.94 CNR2 (0.42) CNR2CNR1SCARB1KDM4ELMNA
SCHEMBL23801359 0.93 CNR2 (0.35) CNR2CNR1KDM4EHPGDHTT
SCHEMBL23801795 0.90 CNR2 (0.37) CNR2CNR1KDM4ELMNAMAPT
SCHEMBL23802099 0.88 CNR2 (0.39) CNR2CNR1SCARB1LMNAMAPT
SCHEMBL23802442 0.85 CNR2 (0.42) CNR2CNR1SCARB1LMNAMAPT
SCHEMBL23801357 0.82 CNR2 (0.39) CNR2CNR1KDM4ELMNAMAPT
SCHEMBL23802449 0.81 CNR2 (0.39) CNR2CNR1LMNAMAPTHPGD
SCHEMBL23801356 0.81 CNR2 (0.40) CNR2CNR1KDM4ELMNAMAPT
SCHEMBL31346589 0.81 CNR2 (0.40) CNR2CNR1KDM4ELMNAMAPT

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