SCHEMBL11229331

SCHEMBL11229331

CCCCC(Oc1ccc(O)cc1)Oc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.52
NR5A1 Q13285 1/20 0.52
ESR1 P03372 5/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9628392 0.93 NR5A1 (0.58) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL9630337 0.93 NR5A1 (0.58) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL9629032 0.93 NR5A1 (0.58) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL7648055 0.88 LTA4H (0.46) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL50821 0.87 PKM (0.53) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL14745891 0.85 LTA4H (0.52) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL9856161 0.83 LTA4H (0.50) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL51432 0.83 CTRC (0.53) LTA4HNR5A1ESR1LMNACYP1A2
SCHEMBL12298955 0.82 PPARG (0.42) ACHEMEN1KMT2A
SCHEMBL7782155 0.81 LTA4H (0.49) LTA4HNR5A1ESR1LMNACYP1A2

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-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed