SCHEMBL21586966

SCHEMBL21586966

CCCCCCCCCCCCS(=O)(=O)c1ccc2nn(-c3cc(OCCCC)cc(C(C)(C)C)c3O)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
S1PR1 P21453 1/20 0.35
TSHR P16473 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 5/20 0.32
PTGS2 P35354 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NR5A1 Q13285 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL25991029 0.90 MMP1 (0.34) MMP1TSHRCA12CA1CA2
SCHEMBL23636593 0.87 CNR2 (0.35) CNR1CNR2
SCHEMBL5834402 0.87 NR5A2 (0.36) TSHRTHRBPTGS2NR5A1CNR2
SCHEMBL2638002 0.87 NR5A2 (0.36) TSHRTHRBPTGS2NR5A1CNR2
SCHEMBL30396465 0.87 POLB (0.38) CA2THRBPTGS2ALDH1A1SMN1; SMN2
SCHEMBL21586964 0.85 PTGS2 (0.37) TSHRPTGS2PDE3BPDE3AP2RY12
SCHEMBL23636586 0.85 CNR2 (0.35) CNR2
SCHEMBL23636570 0.85 CNR2 (0.34) CNR2
SCHEMBL769207 0.83 NR5A2 (0.37) TSHRPTGS2NR5A1CNR2ALDH1A1
SCHEMBL29358528 0.83 NR5A2 (0.37) TSHRPTGS2NR5A1CNR2ALDH1A1

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
EP-3578550-A1 NOVEL BENZOTRIAZOLE UV ABSORBER WITH RED SHIFT AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2019-12-11 EP disclosed