SCHEMBL7597972

SCHEMBL7597972

C=CCOC(=O)CC(=O)N(CC=C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.36
BRCA1 P38398 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL325730 0.85 TSHR (0.53) TSHRSMN1; SMN2PKMRAB9ANPC1
SCHEMBL6427847 0.79 TSHR (0.49) TSHRSMN1; SMN2PKMCYP3A4RAB9A
SCHEMBL10694643 0.77 TSHR (0.49) TSHRSMN1; SMN2PKMCYP3A4NPSR1
SCHEMBL10695523 0.75 TSHR (0.49) TSHRSMN1; SMN2PKMRAB9ANPC1
SCHEMBL11414115 0.75 ALDH1A1 (0.60) TSHRSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL7504930 0.75 TSHR (0.48) TSHRSMN1; SMN2PKMCYP3A4NPSR1
SCHEMBL4207496 0.75 TSHR (0.51) TSHRSMN1; SMN2PKMCYP3A4RAB9A
SCHEMBL9711947 0.75 TSHR (0.51) TSHRSMN1; SMN2PKMRAB9ANPC1
SCHEMBL7498798 0.75 TSHR (0.48) TSHRSMN1; SMN2PKMCYP3A4RAB9A
SCHEMBL946547 0.74 TSHR (0.53) TSHRSMN1; SMN2PKMCYP3A4NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073639-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2002-11-27 EP claimed
EP-1073639-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-02-07 EP claimed
US-6077851-A USED FOR TREATMENT OF DISEASES RESULTING FROM AUTOIMMUNITY SUCH AS MULTIPLE SCLEROSIS, INSULIN-DEPENDENT DIABETES MELLITUS, SYSTEMIC LUPUS ERYTHEMATOSUS, RHEUMATOID ARTHRITIS, INFAMMATORY BOWEL DISEASE AND PSORIASIS; LAQUINIMOD AS NEW CHEMICAL ENTITY ACTIVE BIOTECH AB (SE) 2000-06-20 US claimed
WO-1999055678-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 1999-11-04 WO claimed