SCHEMBL29029973

SCHEMBL29029973

O=C(O)c1cc(NC(=O)c2ccco2)cc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
BLM P54132 1/20 0.65
LMNA P02545 1/20 0.64
MAPK1 P28482 1/20 0.64
KCNK3 O14649 1/20 0.64
KCNK9 Q9NPC2 1/20 0.64
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
PTPN6 P29350 1/20 0.61
PTPN11 Q06124 1/20 0.61
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 3/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 1/20 0.60
GFER P55789 1/20 0.60
PKM P14618 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL7162996 0.90 ALDH1A1 (0.67) RAB9ABLMLMNAMEN1KMT2A
SCHEMBL18906020 0.88 RAB9A (0.79) RAB9ABLMLMNAMAPK1KCNK3
SCHEMBL15056399 0.85 RAB9A (0.75) RAB9ABLMLMNAMEN1KMT2A
SCHEMBL15798361 0.83 SMN1; SMN2 (0.80) RAB9ALMNAMAPK1MEN1KMT2A
SCHEMBL2997673 0.81 RAB9A (1.00) RAB9ABLMLMNAMAPK1KCNK3
SCHEMBL7163004 0.80 RAB9A (0.55) RAB9ALMNAKCNK3KCNK9MEN1
SCHEMBL6816359 0.80 ALDH1A1 (0.67) RAB9ABLMLMNAMAPK1KCNK3
Hydrochloric Acid SCHEMBL31228945 0.80 RAB9A (0.96) RAB9ABLMLMNAMAPK1KCNK3
SCHEMBL23011774 0.80 ALDH1A1 (0.84) RAB9ABLMLMNAMAPK1KCNK3
SCHEMBL27952574 0.79 RAB9A (0.65) RAB9ALMNAMAPK1KCNK3KCNK9

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
CN-115991864-A Aliphatic polyester with reversible crosslinking characteristic, and preparation method and application thereof 上海梓龄化工技术有限公司 2023-04-21 CN disclosed