SCHEMBL16417752

SCHEMBL16417752

C=C(C)Oc1ccc(C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
MAPT P10636 2/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
TYR P14679 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
THRB P10828 1/20 0.37
IDO1 P14902 1/20 0.36
ELANE P08246 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL11144108 0.83 LMNA (0.44) SMN1; SMN2HPGDMAPTRAB9AKMT2A
SCHEMBL10436311 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HPGDXBP1MAPTPRSS1
SCHEMBL14625736 0.81 PRSS1 (0.47) SMN1; SMN2HPGDXBP1MAPTPRSS1
SCHEMBL4594842 0.80 ELANE (0.56) SMN1; SMN2HPGDXBP1MAPTPRSS1
SCHEMBL12286433 0.80 ALDH1A1 (0.51) SMN1; SMN2HPGDMAPTRAB9AKMT2A
SCHEMBL1714626 0.78 LMNA (0.59) SMN1; SMN2HPGDXBP1MAPTPRSS1
SCHEMBL10585505 0.78 HTT (0.47) SMN1; SMN2HPGDXBP1MAPTPRSS1
SCHEMBL13893604 0.77 KMT2A (0.43) SMN1; SMN2HPGDMAPTKMT2AMEN1
SCHEMBL20036375 0.77 TDP1 (0.48) SMN1; SMN2HPGDMAPTPRSS1RAB9A
Hydrogen Peroxide SCHEMBL9578945 0.77 LMNA (0.57) SMN1; SMN2HPGDXBP1MAPTPRSS1

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-8940896-B2 Tetra-cyclic carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2015-01-27 US disclosed