SCHEMBL3346948

SCHEMBL3346948

C=CC(=O)OCCCCOc1ccc(/N=N/c2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59
LMNA P02545 4/20 0.53
NPC1 O15118 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL12312073 0.93 THRB (0.52) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL13882241 0.93 LMNA (0.60) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL13882232 0.93 LMNA (0.60) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL13760847 0.92 LMNA (0.61) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL24599287 0.91 LMNA (0.57) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL10013679 0.91 NPC1 (0.63) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL13882250 0.91 NPC1 (0.63) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL13877703 0.91 NPC1 (0.63) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL13573370 0.91 NPC1 (0.63) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL2741106 0.91 NPC1 (0.63) PRSS1ACRLMNANPC1CYP1A2

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
WO-2010032199-A1 A STIMULATABLE ASYMMETRICAL POLYMERSOME INSTITUT CURIE (FR) 2010-03-25 WO claimed