SCHEMBL11116834

SCHEMBL11116834

CCCCOC(=O)C1=C(C(=O)O)OCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
ESR1 P03372 6/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CYP3A4 P08684 3/20 0.37

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
SCHEMBL9863302 0.91 TSHR (0.41) TSHRTDP1L3MBTL1CHRM2CHRM4
SCHEMBL9863146 0.79 TSHR (0.46) TSHRTDP1L3MBTL1CHRM2CHRM4
SCHEMBL234625 0.78 TSHR (0.52) TSHRTDP1L3MBTL1CHRM2CHRM4
SCHEMBL9862999 0.77 TSHR (0.46) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL4449462 0.75 TSHR (0.49) TSHRTDP1L3MBTL1CHRM2CHRM4
SCHEMBL11564363 0.74 TSHR (0.55) TSHRTDP1L3MBTL1CHRM2CHRM4
SCHEMBL28077230 0.73 TSHR (0.49) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL8975464 0.72 TSHR (0.54) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL16732318 0.72 TSHR (0.54) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL9863046 0.72 TSHR (0.54) TSHRCHRM2CHRM4CHRM5CHRM1

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-0115195-A1 Catalyst composition for use in the polymerization of olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-08-08 EP disclosed