SCHEMBL11277835

SCHEMBL11277835

CCOC(=O)c1ccc2c(c1)CCC(=O)N2OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.58
SRD5A2 P31213 4/20 0.58
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR7 P34969 2/20 0.42
MAPK1 P28482 2/20 0.41

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
SCHEMBL11288709 0.81 SRD5A1 (0.47) SRD5A1SRD5A2MEN1KMT2ACA12
SCHEMBL11602965 0.81 SRD5A1 (0.48) SRD5A1SRD5A2MEN1KMT2AALDH1A1
SCHEMBL11287059 0.77 KMT2A (0.42) SRD5A1SRD5A2KMT2ACA12CA1
SCHEMBL11287504 0.77 SRD5A1 (0.47) SRD5A1SRD5A2MEN1KMT2ACA12
SCHEMBL12991922 0.76 SRD5A1 (0.51) SRD5A1SRD5A2MEN1KMT2ACA12
SCHEMBL20119318 0.76 SRD5A1 (0.59) SRD5A1SRD5A2CA12CA1CA2
SCHEMBL11768561 0.76 LMNA (0.48) SRD5A1SRD5A2MEN1KMT2AESR2
SCHEMBL20178648 0.75 SRD5A1 (0.58) SRD5A1SRD5A2CA12CA1CA2
SCHEMBL20119451 0.75 SRD5A1 (0.58) SRD5A1SRD5A2MEN1KMT2ACA12
SCHEMBL10443684 0.74 CA12 (0.57) SRD5A1SRD5A2MEN1KMT2ACA12

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