SCHEMBL7796233

SCHEMBL7796233

C=CCOc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2OC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.56
TNFRSF1A P19438 1/20 0.51
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A1 P04798 4/20 0.46
CYP1B1 Q16678 4/20 0.46
FLT3 P36888 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
SCHEMBL7185741 1.00 PTPN1 (0.56) PTPN1TNFRSF1AMAPTLMNAHPGD
SCHEMBL7183738 0.91 PTPN1 (0.59) PTPN1MAPTLMNASMN1; SMN2
SCHEMBL9112446 0.90 PTPN1 (0.56) PTPN1TNFRSF1AFLT3
SCHEMBL9112450 0.90 PTPN1 (0.56) PTPN1TNFRSF1AFLT3
SCHEMBL7192678 0.88 PTPN1 (0.56) PTPN1
SCHEMBL7191748 0.88 PTPN1 (0.56) PTPN1
SCHEMBL9111705 0.87 PTPN1 (0.56) PTPN1TNFRSF1AFLT3
SCHEMBL9111700 0.87 PTPN1 (0.56) PTPN1TNFRSF1AFLT3
SCHEMBL9113886 0.87 CYP1A1 (0.59) PTPN1TNFRSF1AMAPTLMNANPC1
SCHEMBL9113888 0.87 CYP1A1 (0.59) PTPN1TNFRSF1AMAPTLMNANPC1

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 5 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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO 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
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed