SCHEMBL8796136

SCHEMBL8796136

CC(C)(C)[Si](C)(C)OC/C(=C\CCc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.36
GPR52 Q9Y2T5 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 2/20 0.34
BTN3A1 O00481 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53BP1 Q12888 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL8796142 1.00 NPC1 (0.39) NPC1RAB9AL3MBTL1POLBGPR52
SCHEMBL8796507 0.84 PLA2G4A (0.39)
SCHEMBL8796517 0.84 PLA2G4A (0.39)
SCHEMBL8796270 0.84 MAPT (0.45) NPC1RAB9AL3MBTL1POLBGPR52
SCHEMBL8796260 0.84 MAPT (0.45) NPC1RAB9AL3MBTL1POLBGPR52
SCHEMBL8795690 0.81 KMT2A (0.36) NPC1MAPTKDM4ESMN1; SMN2TP53BP1
SCHEMBL8795697 0.81 KMT2A (0.36) NPC1MAPTKDM4ESMN1; SMN2TP53BP1
SCHEMBL9258569 0.78 PLA2G4A (0.39) ALDH1A1
SCHEMBL8795840 0.77 PLA2G4A (0.40) POLBMAPTALDH1A1SMN1; SMN2
SCHEMBL8795834 0.77 PLA2G4A (0.40) POLBMAPTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed