SCHEMBL8459388

SCHEMBL8459388

C=CCCC(=O)C/C=C/C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ABCC4 O15439 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 3/20 0.31
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL8459389 1.00 MAPT (0.35) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL8458200 0.83 PPARG (0.32) MAPTALDH1A1SMN1; SMN2
SCHEMBL8458198 0.83 PPARG (0.32) MAPTALDH1A1SMN1; SMN2
SCHEMBL8960074 0.81
SCHEMBL10696540 0.80
SCHEMBL26728697 0.78 MAPT (0.38) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL28606494 0.77 ALDH1A1 (0.35) ALDH1A1TSHRCYP2D6ALOX15
SCHEMBL9113394 0.77 ALDH1A1 (0.35) ALDH1A1TSHRCYP2D6ALOX15
SCHEMBL1509789 0.77 ALDH1A1 (0.35) ALDH1A1TSHRCYP2D6ALOX15
SCHEMBL296964 0.77 MAPT (0.46) MAPTABCC4ALDH1A1LMNASMN1; SMN2

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
US-5961483-A Iontophoretic delivery of cell adhesion inhibitors COLLATERAL AGENTS, LLC 1999-10-05 US disclosed
US-5935598-A DEVICE FOR NON-INVASIVE ADMINISTRATION OF A CELL ADHESION RECEPTOR ANTAGONIST TO A MAMMAL; CURRENT DISTRIBUTING MEMBER, IONIZABLE ANTAGONIST RESERVOIR, ELECTROLYTE RESERVOIR, POWDER SOURCE; TREATING THROMBOSIS, ANTICOAGULANTS BECTON DICKINSON RESEARCH CENTER (US) 1999-08-10 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed