SCHEMBL29952628

SCHEMBL29952628

OB(O)c1cccc(COC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.49
EPHX1 P07099 1/20 0.45
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
CARM1 Q86X55 4/20 0.40
PRMT6 Q96LA8 4/20 0.40
PRMT8 Q9NR22 2/20 0.40
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR4 Q13639 1/20 0.38
NAAA Q02083 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
TMEM97 Q5BJF2 1/20 0.37
OPRM1 P35372 1/20 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
SCHEMBL29953866 0.95 ENPP2 (0.50) ENPP2EPHX1LPLLIPGCARM1
SCHEMBL29954386 0.85 ENPP2 (0.46) ENPP2EPHX1LPLLIPGCARM1
SCHEMBL4961595 0.84 SLC6A2 (0.46) CARM1PRMT6PRMT8SLC6A2HTR2A
SCHEMBL10269521 0.81 LPL (0.41) ENPP2LPLLIPGCARM1PRMT6
SCHEMBL29951790 0.81 ENPP2 (0.47) ENPP2EPHX1LPLLIPGOPRM1
SCHEMBL29952340 0.80 ENPP2 (0.44) ENPP2EPHX1LPLLIPGCARM1
SCHEMBL18616136 0.79 OPRM1 (0.49) ENPP2SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL18616222 0.78 CARM1 (0.59) CARM1PRMT6PRMT8SLC6A2SLC6A4
SCHEMBL22305499 0.76 CARM1 (0.58) CARM1PRMT6SLC6A2HTR2AHTR2C
SCHEMBL22306741 0.76 CARM1 (0.42) CARM1PRMT6PRMT8SLC6A2HTR2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed