SCHEMBL6959707

SCHEMBL6959707

COC(=O)c1cc(CC=O)ccc1-c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
KDM4E B2RXH2 6/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
NR4A2 P43354 1/20 0.44
AXL P30530 1/20 0.43
RAB9A P51151 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL6963441 0.85 PTPN1 (0.57) CFTRKDM4EMAPTRECQLNPSR1
SCHEMBL6428107 0.83 CFTR (0.50) CFTRKDM4EMAPTRECQLNPSR1
SCHEMBL2726214 0.80 CFTR (0.58) CFTRKDM4EMAPTRECQLNPSR1
SCHEMBL6959703 0.78 CFTR (0.51) CFTRKDM4EMAPTRECQLNPSR1
SCHEMBL28366655 0.77 KDM4E (0.56) CFTRKDM4EALDH1A1POLBNR4A2
SCHEMBL4134287 0.75 KDM4E (0.54) CFTRKDM4EMAPTALDH1A1POLB
SCHEMBL6967431 0.74 MAPT (0.37) KDM4EMAPTRECQLNPSR1PTPN1
SCHEMBL6963860 0.73 CFTR (0.52) CFTRKDM4EMAPTRECQLNPSR1
SCHEMBL1958004 0.73 SLC6A3 (0.58) KDM4EMAPTALDH1A1GAARAB9A
SCHEMBL2770705 0.73 HPGD (0.47) KDM4EMAPTNPSR1ALDH1A1GAA

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-6649636-B1 Cyclooxygenase inhibitors PFIZER INC. 2003-11-18 US disclosed
EP-1104759-B1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1104759-A1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed