SCHEMBL11285441

SCHEMBL11285441

CCOC(=O)C(C)Oc1cccc2c1CCC(=O)N2C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 4/20 0.43
TSHR P16473 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NR5A1 Q13285 13/20 0.41
RORA P35398 5/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
ACHE P22303 1/20 0.40
ESR1 P03372 1/20 0.40
PTPN7 P35236 1/20 0.40
NPC1 O15118 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
SCHEMBL11287448 0.85 KMT2A (0.46) KMT2ATSHRMAPK1
SCHEMBL11599952 0.82 KDM4E (0.42) KDM4EALDH1A1MAPTHTTHPGD
SCHEMBL11283090 0.75 ADRB2 (0.48) KDM4EALDH1A1MAPTHTTHPGD
SCHEMBL27647162 0.71 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL11724685 0.71 CYP1A2 (0.46) KDM4EMEN1KMT2ATSHRMAPK1
SCHEMBL27939754 0.70 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL9653138 0.69 HRH3 (0.40)
SCHEMBL9644250 0.69 LMNA (0.54) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL5124456 0.69 TDP1 (0.55) KDM4EALDH1A1MAPTHTTHPGD
SCHEMBL19177326 0.68 ESR2 (0.44) KDM4EALDH1A1MAPTHTTHPGD

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