SCHEMBL8955449

SCHEMBL8955449

CC(C)(N1SCC(Cc2ccccc2)C1=O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 2/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL7472982 0.72 HSD11B1 (0.38) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL6536922 0.71 L3MBTL1 (0.44) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL7434618 0.71 HSD11B1 (0.44) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL8955444 0.69 KMT2A (0.40) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL7445271 0.68 HSD11B1 (0.41) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL2883438 0.62 NAAA (0.42)
SCHEMBL2575844 0.59 P2RX7 (0.46) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL7421678 0.59 L3MBTL1 (0.47) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL8379405 0.59 ALDH1A1 (0.57) L3MBTL1HSD11B1KMT2ANPC1ALDH1A1
SCHEMBL10435009 0.59 DDB1 (0.38) HSD11B1KMT2ANPC1ALDH1A1RAB9A

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-5550139-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT THE WICHITA STATE UNIVERSITY (US) 1996-08-27 US disclosed