SCHEMBL23558591

SCHEMBL23558591

CCC1CCCC(CC)(C(N)=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 3/20 0.31

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
SCHEMBL1768081 0.79
SCHEMBL1810305 0.79 CYP2C19 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3253959 0.77 CYP2C19 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6802128 0.76 GNAI3 (0.32) SMN1; SMN2
SCHEMBL10501307 0.76 ALDH1A1 (0.35) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL578419 0.76 JAK2 (0.31) JAK2JAK1JAK3SMN1; SMN2
SCHEMBL9370283 0.75 CYP2C19 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL1768062 0.74
Urea SCHEMBL1835314 0.72 ALOX5 (0.46) SMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL27793068 0.72

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-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed