SCHEMBL11285448

SCHEMBL11285448

COC(=O)C(C)Oc1cccc2c1NC(=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.40
PLAU P00749 1/20 0.40
CCR1 P32246 1/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL1137914 0.80 GRM5 (0.42) F9PLAUCCR1KCNH2TSHR
SCHEMBL98343 0.77 HTR5A (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11345336 0.73 ALDH1A1 (0.46) F9PLAUTSHRALDH1A1HPGD
SCHEMBL28629553 0.72 CRBN (0.47) TSHRALDH1A1HSD17B10KDM4ENPC1
SCHEMBL30114834 0.72 CRBN (0.47) TSHRALDH1A1HSD17B10KDM4ENPC1
SCHEMBL18513671 0.71 NPC1 (0.40) CCR1KCNH2NPC1MAPK13MAPK12
SCHEMBL11285856 0.71 SMN1; SMN2 (0.46) F9TSHRALDH1A1HPGDHSD17B10
SCHEMBL12090742 0.71 CYP19A1 (0.48) CCR1KCNH2ALDH1A1HPGDKDM4E
SCHEMBL11278612 0.68 LMNA (0.46) CCR1KCNH2NPC1MAPK13MAPK12
SCHEMBL8919465 0.68 NPC1 (0.46) TSHRHPGDKDM4ENPC1MAPK13

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