SCHEMBL16953866

SCHEMBL16953866

CCOc1c(C)cccc1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.41
▸ SCN4A P35499 8/20 0.39
▸ LMNA P02545 5/20 0.39
▸ SCN1A P35498 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ KCNK2 O95069 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL147753 0.81 SCN4A (0.54) GRM5SCN4ALMNASCN1ASCN5A
SCHEMBL9195589 0.81 ALDH1A1 (0.42) LMNATSHRKCNH2MAPTTDP1
SCHEMBL16953864 0.79 LMNA (0.37) GRM5LMNACYP3A4TSHRMAPT
SCHEMBL21859573 0.79 L3MBTL1 (0.40) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL16961008 0.78 LMNA (0.39) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL16957446 0.77 APOBEC3G (0.41) LMNATSHRSLC6A4MAPTTDP1
SCHEMBL16957443 0.75 NPC1 (0.40) LMNATSHRMAPTTDP1L3MBTL1
SCHEMBL16950519 0.75 NPC1 (0.37) LMNATSHRKCNH2MAPTTDP1
SCHEMBL16950516 0.75 LMNA (0.35) LMNATSHRMAPTTDP1NPSR1
SCHEMBL2522911 0.74 ALDH1A1 (0.47) GRM5SCN4ALMNASCN1ASCN5A

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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