SCHEMBL29328471

SCHEMBL29328471

COC(=O)c1ccc(C(=O)CC(=O)C(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
AGTR1 P30556 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL1924139 0.84 ALDH1A1 (0.57) MAPTNPC1ALDH1A1CA1CA2
SCHEMBL11391147 0.82 CA1 (0.64) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13731179 0.82 ALDH1A1 (0.50) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13916848 0.81 NPC1 (0.58) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL12142808 0.80 ESR1 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14504336 0.79 PTPN1 (0.50) MAPTRAB9ANPC1HPGDALDH1A1
SCHEMBL6168439 0.79 PLOD2 (0.56) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL26134425 0.78 MEN1 (0.65) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6339289 0.78 ERCC5 (0.56) MAPTRAB9ANPC1ALDH1A1POLB
SCHEMBL29083842 0.78 GSK3B (0.53) RAB9ANPC1HPGDCA1CA2

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