SCHEMBL9114871

SCHEMBL9114871

C=CCOc1ccc(C(=O)/C=C/c2cc(CC=C)c(OC)c(OC)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.67
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 2/20 0.65
KRAS P01116 4/20 0.62
EGFR P00533 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ABCC1 P33527 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
ALOX5 P09917 1/20 0.53

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
SCHEMBL9114875 1.00 PTPN1 (0.67) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9113570 0.91 KDM4E (0.65) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9113565 0.91 KDM4E (0.65) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9115249 0.90 KDM4E (0.66) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9112437 0.90 KDM4E (0.66) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9113961 0.88 PTPN1 (0.64) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9113968 0.88 PTPN1 (0.64) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9113628 0.86 KDM4E (0.58) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9113637 0.86 KDM4E (0.58) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL7194628 0.85 KDM4E (0.62) PTPN1ALDH1A1SMN1; SMN2KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed