SCHEMBL11718697

SCHEMBL11718697

O=C(O)CCCCC#CCC1=CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.42
HMGCR P04035 3/20 0.42
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TBXAS1 P24557 2/20 0.37
F13A1 P00488 3/20 0.36
EPHX2 P34913 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11649390 0.95 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1MAPT
SCHEMBL11769902 0.89 IMPDH1 (0.36) IMPDH1
SCHEMBL11720090 0.83 TSHR (0.36) ALDH1A1LMNA
SCHEMBL11724953 0.79 TSHR (0.37) MAPTALDH1A1IMPDH1
SCHEMBL10343438 0.76 F13A1 (0.53) MAPTTBXAS1F13A1LMNA
SCHEMBL11129257 0.76 F13A1 (0.53) MAPTTBXAS1F13A1LMNA
SCHEMBL11111664 0.76 F13A1 (0.53) MAPTTBXAS1F13A1LMNA
SCHEMBL11106275 0.76 F13A1 (0.53) MAPTTBXAS1F13A1LMNA
SCHEMBL11722979 0.75 GSTP1 (0.35) MAPTALDH1A1KMT2ASMN1; SMN2HSD17B10
SCHEMBL21682850 0.71 PTPN7 (0.74) PTPN7HMGCRRECQLTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054741-A Derivatives of prostanoic acid AYERST MCKENNA & HARRISON LTD. (CA) 1977-10-18 US disclosed