SCHEMBL8577135

SCHEMBL8577135

CCCNCc1ccc(N2C(=O)NCC2c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 4/20 0.43
S1PR2 O95136 3/20 0.43
QPCT Q16769 7/20 0.38
QPCTL Q9NXS2 1/20 0.38
LTA4H P09960 1/20 0.36
FFAR1 O14842 4/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR4 O95977 2/20 0.34

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
SCHEMBL8571038 0.90 QPCT (0.38) S1PR1S1PR3S1PR2QPCTQPCTL
SCHEMBL8576418 0.87 FFAR1 (0.38) QPCTQPCTLFFAR1PPARDPPARA
SCHEMBL8571601 0.82 ITGB3 (0.40) QPCTQPCTLFFAR1PPARDPPARA
SCHEMBL8571822 0.81 PPARD (0.38) QPCTQPCTLFFAR1PPARDPPARA
SCHEMBL8573927 0.78 RXRA (0.36) QPCTQPCTLFFAR1PPARDPPARA
SCHEMBL8576047 0.77 HRH3 (0.38) QPCTQPCTL
SCHEMBL8414282 0.77 ITGB3 (0.37) QPCTQPCTLFFAR1PPARDPPARA
SCHEMBL13536889 0.77 S1PR1 (0.66) S1PR1S1PR3S1PR2FFAR1FFAR4
SCHEMBL7274915 0.76 S1PR1 (0.54) S1PR1S1PR3S1PR2FFAR1PPARD
SCHEMBL8416026 0.76 ITGB3 (0.35) QPCTQPCTLFFAR1PPARDPPARA

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-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed