SCHEMBL23399447

SCHEMBL23399447

Cc1cccc(-c2c(CC(C)C)c(O)nn2C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
DPP4 P27487 1/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
GLA P06280 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
GCGR P47871 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL23401984 0.88 SRC (0.39) SRCTRPM8KMT2AALDH1A1POLB
SCHEMBL23402656 0.86 CTSS (0.39) SRCTRPM8KMT2AALDH1A1POLB
SCHEMBL23401220 0.85 TGFBR1 (0.36) SRCTRPM8KMT2AALDH1A1POLB
SCHEMBL23401057 0.85 HTR2A (0.42) KMT2AALDH1A1POLBMAPTHPGD
SCHEMBL23398647 0.85 TP53 (0.40) SRCTRPM8KMT2AALDH1A1POLB
SCHEMBL23401349 0.83 HTR2A (0.43) KMT2AALDH1A1DPP4NPC1MEN1
SCHEMBL23402665 0.83 ICMT (0.35) TRPM8KMT2AALDH1A1POLBMAPK1
SCHEMBL23401902 0.83 NPC1 (0.41) TRPM8KMT2AALDH1A1POLBMAPK1
SCHEMBL23400476 0.82 SRC (0.42) SRCTRPM8KMT2AALDH1A1POLB
SCHEMBL23400346 0.82 SRC (0.39) SRCTRPM8KMT2AALDH1A1POLB

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