SCHEMBL16357643

SCHEMBL16357643

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.54
USP2 O75604 2/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
AKR1C3 P42330 1/20 0.51
HTT P42858 1/20 0.51
LIPE Q05469 1/20 0.50
CCR1 P32246 1/20 0.49

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
SCHEMBL9891789 0.85 MAPK1 (0.62) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL11833579 0.82 MAPK1 (0.59) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL16356402 0.81 MAPK1 (0.55) MAPK1POLBALDH1A1USP2TSHR
Hydrochloric Acid SCHEMBL6913635 0.81 MAPK1 (0.57) MAPK1POLBALDH1A1USP2TSHR
Hydrochloric Acid SCHEMBL7632441 0.81 MAPK1 (0.57) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL16435180 0.79 NAMPT (0.64) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL14037733 0.79 NAMPT (0.64) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL31256906 0.78 MAPK1 (0.55) MAPK1POLBALDH1A1USP2TSHR
Piperazine SCHEMBL28323312 0.78 MAPK1 (0.55) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL6911754 0.78 POLB (0.58) MAPK1POLBALDH1A1USP2TSHR

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