SCHEMBL24786325

SCHEMBL24786325

CCC(=O)NCC(C)CCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMB5 P28074 1/20 0.35
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
HTR2C P28335 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.30
HPGD P15428 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
SCHEMBL25963585 0.85 MEN1 (0.43) MEN1KMT2APSMB5HTR2CCYP2C9
SCHEMBL12872800 0.83 MEN1 (0.41) MEN1KMT2APSMB5MTNR1AMTNR1B
SCHEMBL20464433 0.83 MEN1 (0.44) MEN1KMT2APSMB5MTNR1AMTNR1B
SCHEMBL19688539 0.81 MEN1 (0.36) MEN1KMT2APSMB5MTNR1AMTNR1B
SCHEMBL8847900 0.80 MEN1 (0.46) MEN1KMT2APSMB5MTNR1AMTNR1B
SCHEMBL17335570 0.80 MEN1 (0.46) MEN1KMT2APSMB5MTNR1AMTNR1B
SCHEMBL28965022 0.80 GABRP (0.42) MEN1KMT2ACYP2D6CYP2C19
SCHEMBL10132957 0.79 MEN1 (0.38) MEN1KMT2APSMB5CYP2C9ALDH1A1
SCHEMBL9247182 0.79 MEN1 (0.42) MEN1KMT2APSMB5
SCHEMBL4578403 0.78 CYP2D6 (0.56) MEN1KMT2AALDH1A1ALOX15CYP2D6

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
US-20220396087-A1 ACTIVE ENERGY RAY-CURABLE LIQUID COMPOSITION, RECORDING METHOD, AND RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2022-12-15 US disclosed