SCHEMBL30917286

SCHEMBL30917286

CCC(C)(C)c1cc(C(C)(C)CC)c(O)c(-n2nc3ccccc3n2)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.35
KDM4E B2RXH2 3/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL29229951 1.00 NPC1 (0.39) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL14462709 0.83 NPC1 (0.42) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL8674676 0.83 NPC1 (0.36) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL3684739 0.80 PPARG (0.43) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL14462715 0.79 NPC1 (0.37) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL17717937 0.78 NPC1 (0.58) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL31212619 0.78 NPC1 (0.39) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL27990234 0.76 RAB9A (0.38) NPC1RAB9ALMNAKDM4EPPARG
SCHEMBL14462719 0.76 NPC1 (0.41) NPC1RAB9ALMNAPOLBPPARG
SCHEMBL39146 0.76 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E

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
CN-114901752-B UV resistant surfacing material for composite parts 塞特工业公司 2024-06-07 CN claimed