SCHEMBL27452471

SCHEMBL27452471

CC(=O)NC(=O)c1cccc(C(C)=O)c1OI

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ HPGD P15428 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
SCHEMBL27376299 0.85 MEN1 (0.37) MAPK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27377442 0.79 ALDH1A1 (0.51) MAPK1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL27531993 0.78 KCNK3 (0.44) MAPK1ALDH1A1NPC1RAB9AKCNK3
SCHEMBL27362439 0.77 MTNR1A (0.37) ALDH1A1SMN1; SMN2NPC1POLBLMNA
SCHEMBL27383642 0.76 CTSD (0.46) MAPK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27381448 0.75 PPARA (0.43) MAPTTSHR
SCHEMBL27358392 0.74 NAAA (0.57) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL8464421 0.72 POLB (0.37) MAPK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8463044 0.71 POLB (0.36) MAPK1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27377450 0.70 CA9 (0.36) MAPK1ALDH1A1KMT2ASMN1; SMN2POLB

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-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 — — CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 — — CN disclosed
Send feedback