SCHEMBL7806482

SCHEMBL7806482

C=C(C)Oc1ccc(C(=O)C=Cc2ccc(OCCC)cc2OCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.61
CYP1B1 Q16678 5/20 0.61
DPP4 P27487 3/20 0.52
ABCG2 Q9UNQ0 2/20 0.50
TNFRSF1A P19438 1/20 0.50
PTPN1 P18031 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7185701 0.96 CYP1A1 (0.56) CYP1A1CYP1B1DPP4ABCG2TNFRSF1A
SCHEMBL7191522 0.92 DPP4 (0.55) CYP1A1CYP1B1DPP4ABCG2PTPN1
SCHEMBL9113779 0.90 CYP1A1 (0.70) CYP1A1CYP1B1DPP4ABCG2TNFRSF1A
SCHEMBL7184778 0.89 CYP1A1 (0.60) CYP1A1CYP1B1DPP4ABCG2TNFRSF1A
SCHEMBL7184772 0.89 CYP1A1 (0.60) CYP1A1CYP1B1DPP4ABCG2TNFRSF1A
SCHEMBL7186344 0.88 PTPN1 (0.55) CYP1A1CYP1B1DPP4ABCG2PTPN1
SCHEMBL9111707 0.87 CYP1A1 (0.67) CYP1A1CYP1B1DPP4ABCG2TNFRSF1A
SCHEMBL7184704 0.87 DPP4 (0.50) CYP1A1CYP1B1DPP4ABCG2PTPN1
SCHEMBL7191470 0.86 ABCG2 (0.67) CYP1A1CYP1B1DPP4ABCG2TNFRSF1A
SCHEMBL9113474 0.86 CYP1A1 (0.66) CYP1A1CYP1B1DPP4ABCG2TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed