SCHEMBL20162489

SCHEMBL20162489

C=C(CCCC)C(=O)OC(C)C.C=C(CCCC)C(=O)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 1/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAD52 P43351 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL20162487 0.94 TSHR (0.45) TSHRLMNAALDH1A1HPGDATM
SCHEMBL3477585 0.90 LMNA (0.50) TSHRLMNAALDH1A1MAPTCES2
SCHEMBL20162488 0.89 TSHR (0.46) TSHRLMNAALDH1A1HPGDATM
SCHEMBL3081526 0.88 TSHR (0.55) TSHRLMNAALDH1A1HPGDATM
Ethylene SCHEMBL27507038 0.86 TSHR (0.53) TSHRLMNAALDH1A1HPGDATM
SCHEMBL29168696 0.86 TSHR (0.53) TSHRLMNAALDH1A1HPGDATM
SCHEMBL29117791 0.84 LMNA (0.58) TSHRLMNAALDH1A1MAPTTDP1
SCHEMBL5167857 0.84 TSHR (0.60) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL11171251 0.83 LMNA (0.61) TSHRLMNAALDH1A1MAPTTDP1
SCHEMBL15610760 0.83 LMNA (0.61) TSHRLMNAALDH1A1MAPTTDP1

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-2396355-B1 COPOLYMERS FOR INTRAOCULAR LENS SYSTEMS VISIOGEN INC (US) 2018-05-23 EP disclosed