SCHEMBL23267262

SCHEMBL23267262

CN1CC=C(c2ccc(OCCCOCCOCCOCc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.50
▸ S1PR3 Q99500 1/20 0.50
▸ QDPR P09417 1/20 0.46
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LTA4H P09960 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL23249954 0.80 NAMPT (0.50) S1PR1S1PR3PPARGPPARA
SCHEMBL14080907 0.76 QDPR (0.53) S1PR1S1PR3QDPRPPARGPPARA
SCHEMBL14048608 0.74 QDPR (0.60) QDPRPPARGPPARA
SCHEMBL13778710 0.73 DRD2 (0.54) LMNAMEN1KMT2A
SCHEMBL13898494 0.71 QDPR (0.68) QDPRNPC1RAB9AKDM4ELMNA
SCHEMBL50923 0.71 QDPR (0.67) QDPRNPC1RAB9AKDM4ELMNA
SCHEMBL16594362 0.71 TSHR (0.56) NPC1RAB9ALTA4HKDM4ELMNA
SCHEMBL16862164 0.71 QDPR (0.67) QDPRNPC1RAB9AKDM4ELMNA
SCHEMBL8194797 0.70 S1PR1 (0.64) S1PR1S1PR3PPARGPPARAHRH3
SCHEMBL26567134 0.70 L3MBTL1 (0.69) LTA4HMEN1KMT2A

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-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 — — WO disclosed
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