SCHEMBL6963441

SCHEMBL6963441

O=CCc1ccc(-c2ccco2)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.57
PTPN2 P17706 2/20 0.48
PTPN6 P29350 2/20 0.48
CFTR P13569 1/20 0.44
FOLH1 Q04609 4/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
GAA P10253 2/20 0.41
ESR1 P03372 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
KEAP1 Q14145 1/20 0.40
MAPT P10636 4/20 0.40
RECQL P46063 3/20 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
SCHEMBL6959707 0.85 CFTR (0.49) PTPN1CFTRKDM4EALDH1A1POLB
SCHEMBL6426460 0.79 PTPN1 (0.60) PTPN1PTPN2PTPN6CFTRKDM4E
SCHEMBL6970043 0.74 KDM4E (0.41) PTPN1KDM4EALDH1A1POLBTDP1
SCHEMBL6967431 0.74 MAPT (0.37) PTPN1PTPN2PTPN6KDM4EALDH1A1
SCHEMBL6963436 0.74 PTPN1 (0.49) PTPN1PTPN2PTPN6CFTRKDM4E
SCHEMBL1673212 0.73 PTPN1 (0.54) PTPN1PTPN2PTPN6CFTRKDM4E
SCHEMBL8384592 0.72 KLKB1 (0.47) FOLH1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL4141035 0.71 PTPN1 (0.51) PTPN1PTPN2PTPN6CFTRKDM4E
SCHEMBL28650005 0.68 MRGPRX4 (0.49) PTPN1KDM4EALDH1A1RCE1
SCHEMBL28869121 0.68 PTPN1 (0.52) PTPN1PTPN2PTPN6CFTRKDM4E

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