SCHEMBL5490653

SCHEMBL5490653

O=P(O)(S)Cc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.55
FFAR4 Q5NUL3 2/20 0.51
APP P05067 1/20 0.44
HPGD P15428 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
GRM5 P41594 1/20 0.39

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
SCHEMBL237644 0.82 FFAR1 (0.36) FFAR1FFAR4
SCHEMBL6310521 0.82 HPGD (0.58) HPGD
SCHEMBL5403272 0.71 FFAR1 (0.61) FFAR1FFAR4APPASIC3MAPT
SCHEMBL17183139 0.71 IDO1 (0.59) FFAR1FFAR4APPHPGDASIC3
Diphenylacetylene SCHEMBL28030363 0.71 APP (0.50) FFAR1FFAR4APPMAPT
SCHEMBL2426897 0.71 FFAR1 (0.78) FFAR1FFAR4APPPPARGPPARA
SCHEMBL11131726 0.71 FFAR1 (1.00) FFAR1FFAR4APP
SCHEMBL2114741 0.69 APP (0.92) FFAR1FFAR4APPHPGDMAPT
SCHEMBL4189382 0.69 FFAR1 (0.75) FFAR1FFAR4APPPPARGPPARA
SCHEMBL240691 0.69 PGK1 (0.44) FFAR1FFAR4

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
WO-2007018808-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 WO disclosed