SCHEMBL27345291

SCHEMBL27345291

O=C(NC1CC2CNCC2C1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.56
EPHX1 P07099 1/20 0.53
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
CPB1 P15086 2/20 0.50
NAAA Q02083 1/20 0.50
TLR4 O00206 1/20 0.50
HSD11B1 P28845 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2C P28335 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL10449418 1.00 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL10321293 1.00 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL12323282 0.91 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL10449582 0.91 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1CTSL
Hydrochloric Acid SCHEMBL10319945 0.90 ALDH1A1 (0.55) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL360613 0.88 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL1006562 0.88 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL22860604 0.88 ALDH1A1 (0.65) ALDH1A1GAATSHREPHX1CTSL
Hydrochloric Acid SCHEMBL25328114 0.87 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1CTSL
SCHEMBL25674801 0.85 ALDH1A1 (0.58) ALDH1A1GAATSHREPHX1CTSL

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-2024015503-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-18 WO disclosed