SCHEMBL19632208

SCHEMBL19632208

C[C@H]1CCCCNCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
CXCR4 P61073 1/20 0.37
SLC6A1 P30531 2/20 0.31
TSHR P16473 2/20 0.31
SLC6A11 P48066 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
APLNR P35414 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
NOS2 P35228 1/20 0.30
CYP2D6 P10635 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL19198191 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CXCR4SLC6A1TSHR
SCHEMBL23765694 0.97 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CXCR4SLC6A1TSHR
SCHEMBL22595745 0.97 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CXCR4SLC6A1TSHR
SCHEMBL21017164 0.97 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CXCR4SLC6A1TSHR
SCHEMBL21572838 0.97 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CXCR4TSHRCYP2C9
SCHEMBL22489565 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CXCR4TSHRCYP2C9
SCHEMBL25069814 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CXCR4TSHRCYP2C9
SCHEMBL24178064 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CXCR4TSHRCYP2C9
SCHEMBL21993471 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CXCR4TSHRCYP2C9
SCHEMBL22570595 0.94 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CXCR4TSHRCYP2C9

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
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-20170335470-A1 LOW POWER OZONE GENERATOR IN MOISTURE RICH CLIMATE FOR THE PRESERVATION OF FRUITS AND VEGETABLES BVBA, Wakati (BE) 2017-11-23 US disclosed