SCHEMBL11535258

SCHEMBL11535258

COC(CCCCC(=O)CP(=O)(O)O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.37
FDPS P14324 5/20 0.33
ENPP2 Q13822 4/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
LAP3 P28838 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11537900 0.83 FDFT1 (0.36) SMPD1ENPP2
SCHEMBL2304432 0.79 KDM4C (0.39) FDPSLAP3MEN1LMNAHPGD
SCHEMBL8989558 0.79 ENPP2 (0.34) ENPP2LAP3
SCHEMBL7950976 0.78 KDM4C (0.41) FDPSLAP3TDP1
SCHEMBL7570633 0.78 KDM4C (0.41) FDPSLAP3TDP1
SCHEMBL7947910 0.78 KDM4C (0.41) FDPSLAP3TDP1
SCHEMBL2302042 0.78 KDM4C (0.41) FDPSLAP3TDP1
SCHEMBL8325012 0.76 ALDH1A1 (0.55) ENPP2MEN1LMNAHPGDTSHR
SCHEMBL11849529 0.76 TSHR (0.54) MEN1LMNATSHRKMT2A
SCHEMBL11645519 0.75 FDPS (0.47) FDPSLAP3TSHRKMT2ATDP1

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-4176122-A Process for the preparation of bicyclic enone compounds CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK (HU) 1979-11-27 US disclosed