SCHEMBL16356402

SCHEMBL16356402

O=C[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
USP2 O75604 2/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
AKR1C3 P42330 1/20 0.49
POLB P06746 3/20 0.48
SIGMAR1 Q99720 1/20 0.47
ALOX5 P09917 1/20 0.47
SLC6A7 Q99884 1/20 0.47

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
SCHEMBL16357643 0.81 MAPK1 (0.57) MAPK1ALDH1A1MEN1KMT2AUSP2
SCHEMBL10898288 0.76 MAPK1 (0.62) MAPK1ALDH1A1MEN1KMT2AUSP2
SCHEMBL9891789 0.76 MAPK1 (0.62) MAPK1ALDH1A1MEN1KMT2AUSP2
SCHEMBL27623186 0.74 MAPK1 (0.56) MAPK1ALDH1A1MEN1KMT2AUSP2
SCHEMBL11833579 0.73 MAPK1 (0.59) MAPK1ALDH1A1MEN1KMT2AUSP2
SCHEMBL631962 0.73 ALDH1A1 (0.69) MAPK1ALDH1A1MEN1KMT2AUSP2
SCHEMBL27792690 0.73 AKR1C3 (0.82) MAPK1ALDH1A1MEN1KMT2AUSP2
SCHEMBL16357732 0.73 MMP1 (0.37) ALDH1A1HTT
Hydrochloric Acid SCHEMBL7632441 0.72 MAPK1 (0.57) MAPK1ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL6913635 0.72 MAPK1 (0.57) MAPK1ALDH1A1MEN1KMT2AUSP2

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-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed