SCHEMBL11748829

SCHEMBL11748829

CCCC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
PKM P14618 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
XBP1 P17861 1/20 0.50
ATM Q13315 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
CCR6 P51684 1/20 0.45
TRPV1 Q8NER1 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40

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
Oxycarboxin SCHEMBL18897 0.80 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Oxycarboxin SCHEMBL28267507 0.80 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Oxycarboxin SCHEMBL4335924 0.71 NPC1 (0.46) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL11632032 0.71 SMN1; SMN2 (0.66) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Oxycarboxin SCHEMBL4175380 0.71 MAPK1 (0.76) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Oxycarboxin SCHEMBL8819774 0.71 MAPT (0.45) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Oxycarboxin SCHEMBL4430072 0.70 SMN1; SMN2 (0.44) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL11574942 0.69 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL9103932 0.68 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2KMT2A
Oxycarboxin SCHEMBL11633226 0.68 KMT2A (0.42) RAB9ANPC1MAPTSMN1; SMN2KMT2A

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
US-4044118-A N-1-HALOMETHYL-1-S-DIALKYLPHOSPHOROTHIOATE METHINYL PHTHALIMIDE ON TEXACO INC. (US) 1977-08-23 US disclosed
US-3939272-A 5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXYANILIDE-4,4-DIOXIDE, ALKYLATED PHENOL TEXACO INC. (US) 1976-02-17 US disclosed