SCHEMBL23400321

SCHEMBL23400321

CCCCc1c(C(C)C)nn(-c2ccccc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.43
USP2 O75604 1/20 0.41
P2RX7 Q99572 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HMGCR P04035 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL23399239 0.92 USP2 (0.43) GCGRUSP2P2RX7CNR1CNR2
SCHEMBL23399925 0.89 GCGR (0.43) GCGRUSP2NPC1RAB9ALMNA
SCHEMBL23399387 0.87 GCGR (0.39) GCGRALDH1A1LMNA
SCHEMBL23399322 0.85 GCGR (0.42) GCGRUSP2P2RX7NPC1RAB9A
SCHEMBL23403097 0.84 GCGR (0.39) GCGRALDH1A1SMN1; SMN2
SCHEMBL23402087 0.83 ALDH1A1 (0.38) GCGRNPC1RAB9AALDH1A1LMNA
SCHEMBL23402141 0.82 USP2 (0.45) USP2CNR1CNR2NPC1RAB9A
SCHEMBL23401505 0.82 NPC1 (0.51) USP2P2RX7CNR1CNR2NPC1
SCHEMBL23402471 0.82 TP53 (0.41) GCGRUSP2P2RX7ALDH1A1LMNA
SCHEMBL23403071 0.81 P2RX7 (0.40) P2RX7NPC1RAB9AALDH1A1HMGCR

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