SCHEMBL14207668

SCHEMBL14207668

CC1CCC(C(=O)Oc2ccc(OC(=O)c3ccc(C(C)C)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
ELANE P08246 2/20 0.49
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
MEN1 O00255 2/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
UBE2N P61088 1/20 0.38
LMNA P02545 1/20 0.38
RXRA P19793 1/20 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
SCHEMBL4544900 0.86 KMT2A (0.61) PRSS1ACRELANEKMT2ASMN1; SMN2
SCHEMBL14068946 0.86 KMT2A (0.61) PRSS1ACRELANEKMT2ASMN1; SMN2
SCHEMBL8929996 0.85 ELANE (0.52) PRSS1ACRELANEKMT2ASMN1; SMN2
SCHEMBL8930089 0.85 ELANE (0.52) PRSS1ACRELANEKMT2ASMN1; SMN2
SCHEMBL16550005 0.85 ELANE (0.52) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL10091183 0.85 ELANE (0.64) PRSS1ACRELANEKMT2ASMN1; SMN2
SCHEMBL14015521 0.84 ELANE (0.51) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL17000495 0.83 ELANE (0.66) ELANEKMT2ASMN1; SMN2HTTTDP1
SCHEMBL23511046 0.82 ELANE (0.55) PRSS1ACRELANEKMT2ASMN1; SMN2
SCHEMBL17666399 0.82 ELANE (0.49) PRSS1ACRELANEKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351451-B2 Anthraquinone compound, liquid crystal composition, cell and display device employing the same FUJIFILM CORPORATION (JP) 2008-04-01 US disclosed