SCHEMBL8778426

SCHEMBL8778426

O=C(c1[c]cc[c]c1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
ALPG P10696 2/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 4/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL11522568 0.82 HPGD (0.39) LMNASMN1; SMN2ALDH1A1CA1CA2
SCHEMBL935197 0.81 ALDH1A1 (0.48) CES2CES1LMNAALDH1A1NPC1
SCHEMBL1260294 0.78
SCHEMBL7525114 0.76 LTA4H (0.44) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL935016 0.76 SRD5A2 (0.54) SMN1; SMN2HPGD
SCHEMBL21050028 0.73 LMNA (0.49) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL3035196 0.72 LTA4H (0.57) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL8572071 0.71 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL238259 0.71 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2
SCHEMBL1736339 0.71 LTA4H (0.73) LTA4HCES2CES1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813560-A2 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-29 EP claimed
WO-1996028491-A1 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-19 WO claimed
EP-0813560-A2 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-29 EP disclosed
WO-1996028491-A1 SOLUBLE FLUORINATED POLY-P-PHENYLENES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-19 WO disclosed