SCHEMBL8795222

SCHEMBL8795222

CCOC(=O)c1cccc(/C(=C/c2ccccc2)CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 6/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.39
TP53 P04637 3/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL8795499 1.00 KMT2A (0.44) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8796260 0.83 MAPT (0.45) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8796270 0.83 MAPT (0.45) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8795690 0.83 KMT2A (0.36) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL8795697 0.83 KMT2A (0.36) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL8796246 0.83 RARA (0.41) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8796237 0.83 RARA (0.41) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8795809 0.81 NPC1 (0.39) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8796886 0.81 PLA2G4A (0.45) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8796891 0.81 PLA2G4A (0.45) MAPTRAB9AALDH1A1NPC1SMN1; 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 4 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
EP-0594702-B1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS UPJOHN CO (US) 1997-01-29 EP disclosed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP disclosed