SCHEMBL6983901

SCHEMBL6983901

CSc1ccc(-c2oc3ccccc3c(=O)c2-c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51
RET P07949 2/20 0.50
MAPK14 Q16539 3/20 0.49
ADORA3 P0DMS8 2/20 0.48
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL6979534 0.91 RET (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL7685589 0.84 MAPK14 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6981487 0.81 PTGS2 (0.62) PLA2G2APLA2G4ARETMAPK14ADORA3
SCHEMBL6978675 0.81 MAPK14 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6978757 0.81 PTGS2 (0.65) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6978284 0.80 PTGS2 (0.63) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6977307 0.78 KDM4E (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6982123 0.78 KDM4E (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL7876427 0.76 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2GLA
SCHEMBL6976262 0.74 PTGS2 (0.59) PLA2G2APLA2G4ARETMAPK14ADORA3

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
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
EP-1105384-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-13 EP disclosed
WO-2000010993-A1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-03-02 WO disclosed