SCHEMBL9114929

SCHEMBL9114929

C=CCOc1ccc(C(=O)/C=C/c2cc(OC(C)C)cc(OC(C)C)c2CCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.49
DPP4 P27487 5/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
FLT3 P36888 1/20 0.39
TNFRSF1A P19438 1/20 0.39

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
SCHEMBL9114936 1.00 PTPN1 (0.49) PTPN1DPP4ABCG2NPC1POLB
SCHEMBL9111705 0.90 PTPN1 (0.56) PTPN1ABCG2FLT3TNFRSF1A
SCHEMBL9111700 0.90 PTPN1 (0.56) PTPN1ABCG2FLT3TNFRSF1A
SCHEMBL9114006 0.90 DPP4 (0.48) PTPN1DPP4ABCG2NPC1MAPT
SCHEMBL9114023 0.90 DPP4 (0.48) PTPN1DPP4ABCG2NPC1MAPT
SCHEMBL9114460 0.87 KDM4E (0.49) PTPN1ABCG2MAPTSMN1; SMN2FLT3
SCHEMBL9114455 0.87 KDM4E (0.49) PTPN1ABCG2MAPTSMN1; SMN2FLT3
SCHEMBL9114446 0.87 TNFRSF1A (0.54) PTPN1DPP4ABCG2NPC1MAPT
SCHEMBL9114434 0.87 TNFRSF1A (0.54) PTPN1DPP4ABCG2NPC1MAPT
SCHEMBL9112446 0.87 PTPN1 (0.56) PTPN1ABCG2FLT3TNFRSF1A

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