SCHEMBL29951302

SCHEMBL29951302

OB(O)c1cc(Cl)c(Cl)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
MGLL Q99685 2/20 0.38
TTR P02766 3/20 0.37
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDR P35968 1/20 0.33
ENPP2 Q13822 1/20 0.32
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
CYP3A4 P08684 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
P2RX7 Q99572 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL2521376 0.78 TTR (0.48) TTRHTR3EHTR3BHTR3AHTR3D
SCHEMBL29465748 0.76 HTR3E (0.47) NOTUMMGLLTTRHTR3EHTR3B
SCHEMBL177582 0.76 HTR3E (0.47) NOTUMMGLLTTRHTR3EHTR3B
SCHEMBL177526 0.76 TTR (0.50) NOTUMMGLLTTRHTR3EHTR3B
SCHEMBL23216410 0.72 TTR (0.41) TTRKDRENPP2HPGDHSD17B10
SCHEMBL27796545 0.72 ALDH1A1 (0.52) NOTUMHTR3EHTR3BHTR3AHTR3D
SCHEMBL16654312 0.70 HPGD (0.52) TTRKDRENPP2HPGDHSD17B10
SCHEMBL6222180 0.70 NOTUM (0.43) NOTUMHPGDCYP3A4TSHR
SCHEMBL29636128 0.69 MGLL (0.39) MGLL
SCHEMBL24425075 0.69 MGLL (0.39) MGLL

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