SCHEMBL4409724

SCHEMBL4409724

CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-c3nc4ccccc4[nH]3)c2O)c(O)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.46
F7 P08709 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 8/20 0.42
NPC1 O15118 8/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL6695599 0.75 MAPT (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL13379410 0.73 TP53 (0.60) AMY1AF7HDAC6RAB9ANPC1
SCHEMBL225143 0.72 IDH1 (0.35) ALDH1A1SMN1; SMN2TP53LMNAMEN1
Bisoctrizole SCHEMBL29358089 0.70 NPC1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
Bisoctrizole SCHEMBL39191 0.70 NPC1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
Bisoctrizole SCHEMBL5994392 0.70 NPC1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
Bisoctrizole SCHEMBL30113083 0.70 NPC1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL17287351 0.69 IDH1 (0.33) AMY1AALDH1A1SMN1; SMN2TP53MEN1
Bisoctrizole SCHEMBL26123807 0.68 NPC1 (0.35) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4409726 0.68 IDH1 (0.38) ALDH1A1SMN1; SMN2TP53LMNAMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874853-B2 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT BASF SE (DE) 2012-07-04 EP disclosed
EP-1874853-B1 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT CIBA HOLDING INC (CH) 2009-04-15 EP disclosed
EP-0754723-B1 Synergistic stabiliser mixture CIBA GEIGY AG (CH) 1999-04-28 EP disclosed