SCHEMBL25128191

SCHEMBL25128191

CC(C)CCC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.40
GLP1R P43220 8/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
CA1 P00915 5/20 0.35
CA12 O43570 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL27312182 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL27312098 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL27312181 1.00 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL17123136 0.98 ALDH1A1 (0.44) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL23386933 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL13616087 0.90 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL26167786 0.90 HPGD (0.43) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL24700121 0.89 HPGD (0.45) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL25533100 0.89 HPGD (0.45) MEN1KMT2AALDH1A1HPGDGLP1R
SCHEMBL20226534 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1HPGDGLP1R

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-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 WO disclosed