SCHEMBL23401037

SCHEMBL23401037

CCc1nn(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
MPO P05164 3/20 0.35
POLB P06746 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 2/20 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
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 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
SCHEMBL23400076 0.89 USP2 (0.35) HEXAHEXBMPOPOLBTRPM8
SCHEMBL23401991 0.87 HPGD (0.36) HEXAHEXBMPOPOLBTRPM8
SCHEMBL23401746 0.87 AGTR1 (0.34) MPOPOLBLMNASMN1; SMN2HPGD
SCHEMBL23402420 0.82 PDE1A (0.39) MPOTSHRLMNARAB9ASMN1; SMN2
SCHEMBL11965010 0.81 POLB (0.43) HEXAHEXBPOLBHPGDALOX15
SCHEMBL23400795 0.81 HTR2A (0.43) HEXAHEXBMPOPOLBTSHR
SCHEMBL23400287 0.81 HEXA (0.40) HEXAHEXBPOLBTRPM8TSHR
SCHEMBL23400989 0.81 HEXA (0.36) HEXAHEXBTRPM8TSHRLMNA
SCHEMBL23399791 0.80 MPO (0.35) HEXAHEXBMPOPOLBTRPM8
SCHEMBL23402617 0.79 HEXA (0.39) HEXAHEXBPOLBTRPM8TSHR

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