SCHEMBL28293498

SCHEMBL28293498

BC(CCCC)(CCC1CCCCN1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MITF O75030 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NLRP1 Q9C000 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CCR2 P41597 3/20 0.34
ARG1 P05089 3/20 0.33
ARG2 P78540 1/20 0.33
PRCP P42785 1/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
Hydrochloric Acid SCHEMBL28256845 0.95 PRCP (0.35) KMT2AARG1ARG2PRCPS1PR2
Hydrochloric Acid SCHEMBL28256875 0.95 PRCP (0.35) KMT2AARG1ARG2PRCPS1PR2
Hydrochloric Acid SCHEMBL28256846 0.95 PRCP (0.35) KMT2AARG1ARG2PRCPS1PR2
Acetic Acid SCHEMBL29252195 0.77 S1PR1 (0.46) FDPSKMT2AMEN1LMNATP53
SCHEMBL293993 0.74 HRH3 (0.45) FDPSKMT2AMEN1LMNATP53
SCHEMBL27534493 0.73 FDPS (0.46) FDPSKMT2AMEN1LMNATP53
SCHEMBL29449286 0.72 S1PR1 (0.45) KMT2AMEN1LMNATP53PRCP
SCHEMBL7303522 0.72 S1PR1 (0.45) KMT2AMEN1LMNATP53PRCP
SCHEMBL6050340 0.72 CYP1A2 (0.46) FDPSKMT2AMEN1LMNATP53
SCHEMBL3224559 0.72 CYP1A2 (0.46) FDPSKMT2AMEN1LMNATP53

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
CN-110123820-A Arginase inhibitor and its application method 阿斯利康公司 2019-08-16 CN disclosed
CN-104857005-B Arginase inhibitor and its application method 阿斯利康公司 2019-04-26 CN disclosed