SCHEMBL2268185

SCHEMBL2268185

C=CC(=O)OCCCCOc1cc(OC(=O)c2ccc(OCCCC)cc2)ccc1/N=N/c1ccc(CCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.43
ACR P10323 2/20 0.43
THRB P10828 5/20 0.43
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
THRA P10827 2/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PPARA Q07869 2/20 0.37

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
SCHEMBL2270314 0.95 PRSS1 (0.47) PRSS1ACRTHRBNPC1LMNA
SCHEMBL19755943 0.88 POLB (0.45) PRSS1ACRNPC1LMNACYP1A2
SCHEMBL3344394 0.85 PRSS1 (0.49) PRSS1ACRTHRBNPC1LMNA
SCHEMBL15855553 0.84 THRB (0.60) PRSS1ACRTHRBNPC1LMNA
SCHEMBL16379487 0.84 THRB (0.60) PRSS1ACRTHRBNPC1LMNA
SCHEMBL3346948 0.84 PRSS1 (0.59) PRSS1ACRTHRBNPC1LMNA
SCHEMBL16379471 0.83 THRB (0.58) PRSS1ACRTHRBNPC1LMNA
SCHEMBL16379475 0.83 THRB (0.58) PRSS1ACRTHRBNPC1LMNA
SCHEMBL21924985 0.83 THRB (0.54) THRBLMNACYP3A4KMT2ASMN1; SMN2
SCHEMBL21924984 0.83 THRB (0.54) THRBLMNACYP3A4KMT2ASMN1; 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
US-20110206751-A1 STIMULATABLE ASYMMETRICAL POLYMERSOME INSTITUT CURIE (FR) 2011-08-25 US claimed
US-20110206751-A1 STIMULATABLE ASYMMETRICAL POLYMERSOME INSTITUT CURIE (FR) 2011-08-25 US disclosed