SCHEMBL4448898

SCHEMBL4448898

C[CH]C(C)CCCC(C)CCCC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ACE2 Q9BYF1 1/20 0.36
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.32
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
BLM P54132 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL56129 0.90
SCHEMBL4452105 0.86 LMNA (0.40) LMNAACE2TSHROPRM1
SCHEMBL28053963 0.83 LMNA (0.36) LMNA
SCHEMBL78983 0.82
SCHEMBL17956344 0.80 OPRM1 (0.46) LMNAACE2DNM1TSHROPRM1
SCHEMBL5683936 0.80 OPRM1 (0.46) LMNAACE2DNM1TSHROPRM1
SCHEMBL10741611 0.80 OPRM1 (0.46) LMNAACE2DNM1TSHROPRM1
SCHEMBL10987570 0.80 OPRM1 (0.46) LMNAACE2DNM1TSHROPRM1
SCHEMBL20640390 0.80 OPRM1 (0.46) LMNAACE2DNM1TSHROPRM1
SCHEMBL5683987 0.80 OPRM1 (0.46) LMNAACE2DNM1TSHROPRM1

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-20090149584-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF AKTIENGESELLSCHAFT (DE) 2009-06-11 US disclosed