SCHEMBL9276155

SCHEMBL9276155

C=CCc1ccc(OCC)c(C=CC(=O)c2ccc(C(=O)N(C)C)cc2)c1.CCOc1ccc(C(C)(C)CC)cc1C=CC(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.44
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
DPP4 P27487 2/20 0.36

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
SCHEMBL9275370 0.92 PTPN1 (0.49) PTPN1
SCHEMBL7184863 0.91 LMNA (0.47) LMNASMN1; SMN2MAPTALDH1A1ATM
SCHEMBL7186606 0.91 PTPN1 (0.51) PTPN1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL9274284 0.87 PTPN1 (0.35) PTPN1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7192285 0.84 CYP1A1 (0.48) PTPN1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL9206940 0.84 PTPN1 (0.46) PTPN1LMNASMN1; SMN2MAPTATM
SCHEMBL7185914 0.84 PTPN1 (0.46) PTPN1MAPTCYP1A1CYP1B1DPP4
SCHEMBL9197571 0.83 PTPN1 (0.47) PTPN1MAPTDPP4
SCHEMBL7179943 0.83 PTPN1 (0.46) PTPN1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7179055 0.83 LMNA (0.49) PTPN1LMNASMN1; SMN2MAPTALDH1A1

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
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