SCHEMBL23000641

SCHEMBL23000641

CCCCOCCC(C)OC(=O)OC(C)CCOCCCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
FAAH O00519 5/20 0.40
PLA2G2C Q5R387 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.37
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11529240 0.98 TSHR (0.42) TSHRFAAHPLA2G2CCNR1CNR2
SCHEMBL4326288 0.87 ALDH1A1 (0.45) TSHRFAAHPLA2G2CCNR1CNR2
SCHEMBL11518644 0.87 TSHR (0.42) TSHRFAAHPLA2G2CCNR1CNR2
SCHEMBL11529242 0.85 TSHR (0.41) TSHRFAAHPLA2G2CCNR1CNR2
SCHEMBL1470241 0.82 PLA2G2C (0.44) TSHRPLA2G2CHSD17B10CYP3A4ALDH1A1
SCHEMBL11518649 0.82 TSHR (0.38) TSHRFAAHPLA2G2CCNR1CNR2
SCHEMBL15899233 0.82 ALDH1A1 (0.40) TSHRFAAHCNR1CNR2ALDH1A1
SCHEMBL502266 0.81 FAAH (0.50) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL5873220 0.79 FAAH (0.58) FAAHCNR1CNR2ALDH1A1LMNA
SCHEMBL19031909 0.78 FAAH (0.61) FAAHCNR1CNR2MAPTALDH1A1

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-3783038-A1 OLEFIN POLYMER AND METHOD FOR PRODUCING OLEFIN POLYMER TOHO TITANIUM CO., LTD. (JP) 2021-02-24 EP disclosed