SCHEMBL23218370

SCHEMBL23218370

O=C(O)Cc1ccccc1OCc1coc2c(NCC3CCCO3)cc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.39
CCR5 P51681 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 1/20 0.37
TNK2 Q07912 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
SCHEMBL23219081 0.90 HPGD (0.42) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL29853156 0.90 HPGD (0.42) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL29852898 0.90 HPGD (0.42) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL23229050 0.85 CFD (0.42) HPGDALDH1A1CCR5
SCHEMBL29853209 0.84 CFD (0.51) HPGDCCR5
SCHEMBL29852634 0.84 CFD (0.51) HPGDCCR5
SCHEMBL23218081 0.84 CFD (0.51) HPGDCCR5
SCHEMBL23218935 0.84 CFD (0.51) HPGDCCR5
SCHEMBL23219001 0.78 PTGER4 (0.35) MEN1KMT2AMAPTL3MBTL1HSD17B10
SCHEMBL29852426 0.78 PTGER4 (0.35) MEN1KMT2AMAPTL3MBTL1HSD17B10

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
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed