SCHEMBL21586949

SCHEMBL21586949

CC(C)(C)c1cc(OCCCO)cc(-n2nc3ccc(S(=O)(=O)c4ccccc4)cc3n2)c1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
SFRP1 Q8N474 1/20 0.33
HTR6 P50406 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
F2 P00734 3/20 0.32
POLB P06746 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
PTGS2 P35354 5/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
MCL1 Q07820 2/20 0.31
HSD11B1 P28845 1/20 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
SCHEMBL31651459 1.00 CNR2 (0.34) CNR2CNR1SFRP1HTR6ACSS2
SCHEMBL21586964 0.93 PTGS2 (0.37) CNR2EGFRERBB2PTGS2PDE3B
SCHEMBL31651453 0.93 MCL1 (0.35) CNR2CNR1POLBPTGS2MCL1
SCHEMBL21586946 0.89 CNR1 (0.33) CNR2CNR1
SCHEMBL21586945 0.88 CYP1A1 (0.36) CNR2HTR6
SCHEMBL23636593 0.87 CNR2 (0.35) CNR2CNR1ACSS2
SCHEMBL21586965 0.85 NPC1 (0.40) ACSS2POLB
SCHEMBL5834070 0.85 CNR2 (0.35) CNR2SFRP1POLBPTGS2
SCHEMBL23636570 0.85 CNR2 (0.34) CNR2
SCHEMBL21586972 0.82 POLB (0.37) CNR2HTR6POLBPTGS2HSD11B1

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