SCHEMBL23399164

SCHEMBL23399164

CCc1nn(C(C)(C)C)c(-c2ccccc2C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
HPGD P15428 5/20 0.32
RAB9A P51151 3/20 0.32
ALOX15 P16050 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL23402616 0.89 USP2 (0.35) HEXAHEXBTRPM8PTGESALOX5
SCHEMBL23401065 0.87 KDM4E (0.34) LMNASMN1; SMN2HPGDUSP2ALDH1A1
SCHEMBL23400024 0.85 HPGD (0.34) HEXAHEXBTSHRLMNASMN1; SMN2
SCHEMBL23398986 0.83 SMN1; SMN2 (0.41) TSHRLMNASMN1; SMN2HPGDRAB9A
SCHEMBL23400098 0.81 HTR2A (0.43) HEXAHEXBTSHRLMNASMN1; SMN2
SCHEMBL23400287 0.81 HEXA (0.40) HEXAHEXBTRPM8TSHRLMNA
SCHEMBL23398912 0.80 TRPM8 (0.35) HEXAHEXBTRPM8PTGESALOX5
SCHEMBL23401267 0.79 GABRA1 (0.35) TSHRLMNASMN1; SMN2HPGDRAB9A
SCHEMBL23402617 0.79 HEXA (0.39) HEXAHEXBTRPM8TSHRLMNA
SCHEMBL23400016 0.78 LMNA (0.48) HEXAHEXBTSHRLMNAUSP2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed