SCHEMBL27795100

SCHEMBL27795100

CCCCCCCCCCCCCCONc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.58
LTA4H P09960 2/20 0.50
ESR1 P03372 4/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL808654 1.00 NR5A1 (0.58) NR5A1LTA4HESR1ADRA2AADORA3
Phenol SCHEMBL27623710 0.88 NR5A1 (0.49) NR5A1LTA4HESR1ADRA2AADORA3
SCHEMBL8942376 0.85 LTA4H (0.46) NR5A1LTA4HESR1ADRA2AADORA3
SCHEMBL16742377 0.82 MAPT (0.49) NR5A1LMNAKDM4EALDH1A1CYP3A4
SCHEMBL18049455 0.81 LTA4H (0.46) LTA4HESR1ADRA2AADORA3SLC6A2
SCHEMBL2803168 0.81 LTA4H (0.46) LTA4HESR1ADRA2AADORA3SLC6A2
SCHEMBL7593121 0.81 LTA4H (0.46) LTA4HESR1ADRA2AADORA3SLC6A2
SCHEMBL3523840 0.81 LTA4H (0.46) LTA4HESR1ADRA2AADORA3SLC6A2
SCHEMBL905673 0.81 LTA4H (0.46) LTA4HESR1ADRA2AADORA3SLC6A2
SCHEMBL11672538 0.81 LTA4H (0.46) LTA4HESR1ADRA2AADORA3SLC6A2

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
CN-101605525-A Light emitting diode curable acrylates with reduced yellowing BISCO INC (US) 2009-12-16 CN disclosed