SCHEMBL24820969

SCHEMBL24820969

C[C@@H]1C(=O)CCC[C@@H]1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 3/20 0.43
ALOX5 P09917 3/20 0.43
SLC18A3 Q16572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.40
GRIA4 P48058 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MCL1 Q07820 1/20 0.39
HPGD P15428 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL24806685 1.00 MT-CO2 (0.43) MT-CO2ALOX5SLC18A3SMN1; SMN2CREBBP
SCHEMBL11473867 1.00 MT-CO2 (0.43) MT-CO2ALOX5SLC18A3SMN1; SMN2CREBBP
SCHEMBL5846503 0.84 ALOX15 (0.43) ALDH1A1ALOX15TSHR
SCHEMBL24807939 0.80 CHRNB4 (0.42)
SCHEMBL24807942 0.80 CHRNB4 (0.42)
SCHEMBL11484366 0.79 MT-CO2 (0.44) MT-CO2ALOX5SLC18A3CREBBPMEN1
SCHEMBL28477779 0.78 MT-CO2 (0.43) MT-CO2ALOX5SLC18A3CREBBPGRIA4
SCHEMBL14369925 0.77 PSEN1 (0.51) MT-CO2ALOX5SLC18A3CREBBPGRIA4
SCHEMBL426399 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1ATM
SCHEMBL16581382 0.75 SMN1; SMN2 (0.41) SLC18A3SMN1; SMN2MEN1KMT2AALDH1A1

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
WO-2022269768-A1 VITAMIN D3-LIKE COMPOUND 学校法人神奈川大学 2022-12-29 WO disclosed