SCHEMBL9667236

SCHEMBL9667236

CCN1C(=O)Cc2cc(CCC(=O)OC)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
ATAD2 Q6PL18 1/20 0.40
PTPN1 P18031 3/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXRA P19793 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9667549 0.87 BRD4 (0.49) BRD4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL4891140 0.80 BRD4 (0.50) BRD4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL9667697 0.77 BRD4 (0.51) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL4890085 0.76 BRD4 (0.47) BRD4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL10746214 0.75 BRD4 (0.48) BRD4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL26646898 0.74 BRD4 (0.56) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL25014907 0.73 PTPN1 (0.44) HDAC1HDAC6ALDH1A1PTPN1MAPT
SCHEMBL9665333 0.73 BRD4 (0.55) BRD4ALDH1A1GAAATAD2BMPR1B
SCHEMBL29868620 0.73 HDAC1 (0.49) BRD4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL663087 0.73 HDAC1 (0.49) BRD4HDAC1HDAC8HDAC6ALDH1A1

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-0181136-B1 OXINDOLE ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-03-25 EP disclosed
US-4686224-A Oxindole antiinflammatory agents PFIZER INC. (US) 1987-08-11 US disclosed
US-4644005-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1987-02-17 US disclosed
EP-0181136-A2 Oxindole antiinflammatory agents PFIZER INC. (US) 1986-05-14 EP disclosed