SCHEMBL10697629

SCHEMBL10697629

O=C(O)CCCCCCCCCCCCCCCC(=O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.64
CES1 P23141 10/20 0.64
CES2 O00748 2/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 2/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL7371814 1.00 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2222667 1.00 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23896902 0.92 SLC22A6 (0.58) FAAHCES1CES2MEN1CYP1A2
SCHEMBL3440264 0.81 LMNA (0.53) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7393724 0.80 FAAH (0.64) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31152148 0.78 FAAH (1.00) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31636122 0.78 FAAH (0.61) FAAHCES1CES2MEN1CYP1A2
Adipic Acid SCHEMBL5475921 0.78 TSHR (1.00) MEN1KMT2AHSD17B10LMNATSHR
SCHEMBL166746 0.78 TSHR (1.00) MEN1KMT2AHSD17B10LMNATSHR
SCHEMBL21065467 0.78 TSHR (1.00) MEN1KMT2AHSD17B10LMNATSHR

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
EP-0267565-A1 One-step process for preparing mixed substituted 1,2-diacyl-sn-glycero-3-phosphocholines Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1988-05-18 EP disclosed