SCHEMBL9114029

SCHEMBL9114029

C=CCc1c(C=CC(=O)c2ccc(O)cc2)cc(OCC)cc1OCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.57
MAOB P27338 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
DPP4 P27487 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CAPN1 P07384 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9114026 1.00 PTPN1 (0.57) PTPN1MAOBABCG2DPP4LMNA
SCHEMBL9113686 0.93 PTPN1 (0.61) PTPN1MAOBABCG2DPP4LMNA
SCHEMBL9113689 0.93 PTPN1 (0.61) PTPN1MAOBABCG2DPP4LMNA
SCHEMBL9112836 0.90 PTPN1 (0.61) PTPN1MAOBABCG2DPP4LMNA
SCHEMBL9112844 0.90 PTPN1 (0.61) PTPN1MAOBABCG2DPP4LMNA
SCHEMBL9111742 0.89 PTPN1 (0.57) PTPN1MAOBABCG2DPP4LMNA
SCHEMBL9111733 0.89 PTPN1 (0.57) PTPN1MAOBABCG2DPP4LMNA
SCHEMBL9110716 0.89 ABCG2 (0.56) PTPN1ABCG2DPP4CYP1A1CYP1B1
SCHEMBL9113083 0.89 ABCG2 (0.57) PTPN1MAOBABCG2DPP4CYP1A1
SCHEMBL9114923 0.89 PTPN1 (0.56) PTPN1MAOBABCG2DPP4LMNA

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