SCHEMBL11278093

SCHEMBL11278093

CCN1C(=O)CCc2c(OCCCC(=O)O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
HTR6 P50406 2/20 0.44
HRH3 Q9Y5N1 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL11285612 0.87 LOXL2 (0.46) LOXL2HTR6HRH3TSHRSIGMAR1
SCHEMBL11290943 0.84 S1PR5 (0.43) S1PR5LOXL2HRH3TSHR
SCHEMBL11283349 0.81 HRH3 (0.44) LOXL2HTR6HRH3SIGMAR1
SCHEMBL11367098 0.80 HTR6 (0.44) HTR6HRH3TSHR
Hydrochloric Acid SCHEMBL11231511 0.79 HTR6 (0.43) LOXL2HTR6HRH3TSHR
SCHEMBL18072429 0.77 LOXL2 (0.54) LOXL2
SCHEMBL11386590 0.76 HTR6 (0.41) LOXL2HTR6HRH3SIGMAR1
SCHEMBL11726085 0.76 CYP1A2 (0.45) LOXL2TSHRSIGMAR1
Hydrochloric Acid SCHEMBL11240193 0.75 HTR6 (0.40) LOXL2HTR6HRH3SIGMAR1
SCHEMBL11234336 0.74 HTR1A (0.44) HTR6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313947-A TREATMENT OF BLOOD DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-02-02 US disclosed
US-4216220-A Platelet aggregation inhibiting 2-oxyindoles, their compositions and method of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-08-05 US disclosed
US-4070470-A BENCYCLOAMIDE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-01-24 US disclosed