SCHEMBL7738796

SCHEMBL7738796

CCN(CC)C(=O)c1ccc(C(O)C(C)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
KDM4A O75164 1/20 0.36
OPRD1 P41143 2/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL10258367 0.86 HSP90AA1 (0.51) ALDH1A1MAPTL3MBTL1HSP90AA1HSP90AB1
SCHEMBL6651599 0.83 PIK3CD (0.41) MAPTKDM4ARAB9ANPC1APLNR
SCHEMBL6652918 0.78 P4HTM (0.49) ALDH1A1MAPTL3MBTL1TDP1LMNA
SCHEMBL6650658 0.76 KMT2A (0.45) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL471340 0.74 TDP1 (0.58) ALDH1A1MAPTL3MBTL1TDP1KDM4A
SCHEMBL1976065 0.74 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1HSP90AA1HSP90AB1
SCHEMBL30527044 0.74 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1HSP90AA1HSP90AB1
SCHEMBL6650491 0.74 MAPK1 (0.56) ALDH1A1MAPTL3MBTL1LMNAHPGD
SCHEMBL29571426 0.74 MAPK1 (0.56) ALDH1A1MAPTL3MBTL1LMNAHPGD
SCHEMBL6649788 0.74 MAPT (0.41) ALDH1A1MAPTLMNAHPGDSMN1; SMN2

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-6416979-B1 MARASMIELLUS CULTURE PRODUCT; ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENTS PFIZER INC. 2002-07-09 US disclosed