SCHEMBL21586946

SCHEMBL21586946

CC(C)(C)c1cc(OCCCO)cc(-n2nc3ccc(S(=O)(=O)O)cc3n2)c1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
VCAM1 P19320 2/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 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
SCHEMBL23636593 0.90 CNR2 (0.35) CNR1CNR2
SCHEMBL21586949 0.89 CNR2 (0.34) CNR1CNR2
SCHEMBL31651459 0.89 CNR2 (0.34) CNR1CNR2
SCHEMBL31651453 0.89 MCL1 (0.35) CNR1CNR2
SCHEMBL23636570 0.88 CNR2 (0.34) CNR2
SCHEMBL23638712 0.85 NPC1 (0.37) VCAM1
SCHEMBL21586965 0.84 NPC1 (0.40) VCAM1
SCHEMBL21586947 0.84 PDE2A (0.36) VCAM1
SCHEMBL8441278 0.84 CA1 (0.39)
SCHEMBL30887157 0.84 PDE2A (0.36) VCAM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578550-B1 NOVEL RED-SHIFTING BENZOTRIAZOLE UV ABSORBERS EVERLIGHT CHEM IND CORP (TW) 2023-08-16 EP disclosed
EP-3578550-A1 NOVEL BENZOTRIAZOLE UV ABSORBER WITH RED SHIFT AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2019-12-11 EP disclosed