SCHEMBL23399253

SCHEMBL23399253

CCn1nc(CC(C)C)c(O)c1-c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
USP2 O75604 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
ALOX15 P16050 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL23401435 0.90 ESR1 (0.36) HPGDUSP2KDM4EHSD17B10TRPM8
SCHEMBL23402999 0.89 HPGD (0.35) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23402359 0.87 SMN1; SMN2 (0.36) SMN1; SMN2MAPTRAB9AKMT2AMEN1
SCHEMBL23402617 0.86 HEXA (0.39) HPGDUSP2KDM4EHSD17B10TRPM8
SCHEMBL23401536 0.83 USP2 (0.36) HPGDUSP2TRPM8ALOX15SMN1; SMN2
SCHEMBL23399951 0.83 HPGD (0.36) HPGDUSP2KDM4EHSD17B10ALOX15
SCHEMBL23402284 0.83 HTR2A (0.43) HPGDUSP2KDM4EHSD17B10SMN1; SMN2
SCHEMBL23401991 0.82 HPGD (0.36) HPGDUSP2KDM4EHSD17B10TRPM8
SCHEMBL23403096 0.81 HIF1A (0.42) HPGDUSP2KDM4EHSD17B10TSHR
SCHEMBL23399906 0.80 ALOX15 (0.41) HPGDUSP2TRPM8ALOX15SMN1; SMN2

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