SCHEMBL29323240

SCHEMBL29323240

COC(=O)c1ccc(C2CN(CC(F)F)CCN2)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
GAA P10253 1/20 0.37
MYC P01106 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 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
SCHEMBL29320165 0.89 XIAP (0.34) XIAPBIRC2ALDH1A1TMEM97SIGMAR1
SCHEMBL30109126 0.84 XIAP (0.41) GAAXIAPBIRC2ALDH1A1EPHX2
SCHEMBL30109209 0.84 XIAP (0.41) GAAXIAPBIRC2ALDH1A1EPHX2
SCHEMBL31269556 0.84 XIAP (0.41) GAAXIAPBIRC2ALDH1A1EPHX2
SCHEMBL29320350 0.82 ALDH1A1 (0.36) GAAALDH1A1KDM4ELMNA
SCHEMBL29324631 0.82 ALDH1A1 (0.36) SMN1; SMN2XIAPBIRC2ALDH1A1TMEM97
SCHEMBL31056475 0.80 TMEM97 (0.42) ALDH1A1TMEM97SIGMAR1KDM4ENPC1
SCHEMBL31056754 0.79 HTR4 (0.34) XIAPBIRC2ALDH1A1ADRA1AADRA1B
SCHEMBL31056638 0.78 CD274 (0.34) GAASMN1; SMN2XIAPBIRC2ALDH1A1
SCHEMBL31056950 0.77 PDE4B (0.40) CA12CA1CA2CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed