SCHEMBL20162488

SCHEMBL20162488

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 3/20 0.40
ATM Q13315 1/20 0.39
NAAA Q02083 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAD52 P43351 1/20 0.33
ALOX15 P16050 1/20 0.33
ESR1 P03372 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33

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 0.89 TSHR (0.45) TSHRALDH1A1HPGDLMNAATM
SCHEMBL20162487 0.89 TSHR (0.45) TSHRALDH1A1HPGDLMNAATM
SCHEMBL375032 0.88 TSHR (0.57) TSHRALDH1A1HPGDLMNAATM
SCHEMBL666917 0.84 TSHR (0.40) TSHRALDH1A1LMNAHCAR2SMN1; SMN2
Isobutane SCHEMBL28165880 0.83 TSHR (0.62) TSHRALDH1A1LMNANAAAHCAR2
SCHEMBL374970 0.82 TSHR (0.66) TSHRALDH1A1HPGDLMNAATM
SCHEMBL4578697 0.82 ALDH1A1 (0.50) TSHRALDH1A1HPGDLMNAATM
SCHEMBL9488348 0.81 TSHR (0.66) TSHRALDH1A1HPGDLMNAATM
SCHEMBL11850141 0.81 TSHR (0.70) TSHRALDH1A1LMNANAAAHCAR2
SCHEMBL11803516 0.80 TSHR (0.69) TSHRALDH1A1LMNANAAAHCAR2

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