SCHEMBL181334

SCHEMBL181334

CCCCCCC#Cc1ccc2c(C(=O)OC)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL20556393 0.80 FFAR1 (0.48) FFAR1FFAR4MMP2MMP12
SCHEMBL16486830 0.80 MMP2 (0.50) FFAR1FFAR4MMP2MMP12
SCHEMBL181321 0.79 MMP2 (0.52) FFAR1FFAR4MMP2MMP12
SCHEMBL22264120 0.78 MMP2 (0.48) FFAR1FFAR4MMP2MMP12
SCHEMBL344375 0.77 DHODH (0.55)
SCHEMBL345277 0.77 DHODH (0.55)
SCHEMBL7330109 0.77 MMP2 (0.50) FFAR1FFAR4MMP2MMP12
SCHEMBL15565045 0.76 MAOA (0.57) CYP2C9CNR1CNR2
SCHEMBL343997 0.76 DHODH (0.56) CNR2
SCHEMBL272700 0.76 PDE4B (0.44)

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-9796727-B2 Field effect transistor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2017-10-24 US disclosed
EP-2402348-B1 FIELD EFFECT TRANSISTOR NIPPON KAYAKU KK (JP) 2017-04-12 EP disclosed
EP-2402348-A1 FIELD EFFECT TRANSISTOR Hiroshima University (JP) 2012-01-04 EP disclosed