SCHEMBL7803230

SCHEMBL7803230

C=CCOc1ccc(C(=O)/C=C/c2c(OCC)ccc(CCC)c2OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 10/20 0.44
MAOA P21397 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7192110 1.00 PTPN1 (0.47) PTPN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7184165 0.91 PTPN1 (0.46) PTPN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7184195 0.91 PTPN1 (0.46) PTPN1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7184530 0.91 PTPN1 (0.55) PTPN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7192693 0.91 PTPN1 (0.55) PTPN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7185167 0.88 PTPN1 (0.54) PTPN1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7185172 0.88 PTPN1 (0.54) PTPN1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL7184662 0.87 MAPT (0.50) PTPN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7184658 0.87 MAPT (0.50) PTPN1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7185082 0.86 PTPN1 (0.46) PTPN1MAPTSMN1; SMN2NPC1RAB9A

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-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed