SCHEMBL20162487

SCHEMBL20162487

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

nearest known ligand 0.45

Predicted protein targets (top 17)

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
ALOX15 P16050 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
SCHEMBL20162489 0.94 TSHR (0.45) TSHRLMNAALDH1A1HPGDATM
SCHEMBL20162488 0.89 TSHR (0.46) TSHRLMNAALDH1A1HPGDATM
SCHEMBL3477377 0.88 TSHR (0.55) TSHRLMNAALDH1A1HPGDATM
SCHEMBL3476792 0.86 LMNA (0.44) TSHRLMNAALDH1A1HCAR2SMN1; SMN2
SCHEMBL3477585 0.83 LMNA (0.50) TSHRLMNAALDH1A1MAPTALOX15
SCHEMBL3478058 0.83 TSHR (0.63) TSHRLMNAALDH1A1HPGDATM
SCHEMBL3628815 0.81 TSHR (0.67) TSHRLMNAALDH1A1HCAR2NPSR1
SCHEMBL3478027 0.81 TSHR (0.67) TSHRLMNAALDH1A1HCAR2NPSR1
SCHEMBL3477532 0.81 TSHR (0.67) TSHRLMNAALDH1A1HCAR2NPSR1
SCHEMBL236896 0.81 TSHR (0.67) TSHRLMNAALDH1A1HCAR2NPSR1

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