SCHEMBL25352201

SCHEMBL25352201

CCOC(=O)C1C(=O)CCN(C(C)c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.42
HSD11B1 P28845 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL25352198 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL22207271 0.82 MAPT (0.37) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL21822034 0.77 NPC1 (0.46) ALDH1A1HPGDTSHRNPC1KDM4E
SCHEMBL8395099 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1
SCHEMBL3975541 0.73 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL3977632 0.73 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL15358939 0.72 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL2418450 0.72 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL30501856 0.72 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TSHRNPC1
SCHEMBL2359276 0.72 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2TSHRNPC1

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-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed