SCHEMBL10904752

SCHEMBL10904752

C=CCCCCC(CCCC)C(CC)(CCCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.34
ABCC4 O15439 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
LMNA P02545 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL2904335 0.85 FDPS (0.46) MAPTHPGDFDPSCA2FFAR1
SCHEMBL3858633 0.83 CA2 (0.37) MAPTFDPSACHEBACE1CA2
SCHEMBL9331686 0.83 GPR84 (0.44) MAPTFDPSFFAR1FFAR4
SCHEMBL15412278 0.83 GPR84 (0.44) MAPTFDPSFFAR1FFAR4
SCHEMBL27998671 0.79 FFAR4 (0.50) TSHRALDH1A1MAPTFFAR1FFAR4
SCHEMBL27872756 0.79 CA2 (0.42) MAPTFDPSCA2MAPK1FFAR1
SCHEMBL141909 0.79 GPR84 (0.39) MAPTFDPSCA2MAPK1FFAR1
SCHEMBL9136864 0.78 FDPS (0.49) MAPTFDPSCA2FFAR1FFAR4
SCHEMBL9771300 0.78 FDPS (0.49) MAPTFDPSCA2FFAR1FFAR4
SCHEMBL6447112 0.78 FDPS (0.49) MAPTFDPSCA2FFAR1FFAR4

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-4598103-A 1,8-DIAZABICYCLO-5.4.0)ON DEC-7-ENE OR A SALT THEREOF; ORGANIC TIN COMPOUND; ORGANIC LEAD COMPOUND AMERICAN CYANAMID COMPANY (US) 1986-07-01 US disclosed