SCHEMBL28045600

SCHEMBL28045600

CCCCC=CCCC=CCCCC(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.69
PGR P06401 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
PTGS2 P35354 1/20 0.69
PDE4D Q08499 1/20 0.69
ALDH1A1 P00352 2/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MGLL Q99685 1/20 0.57
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
CNR1 P21554 1/20 0.55
FAAH O00519 4/20 0.53
CYP1A2 P05177 1/20 0.52
TOP1 P11387 2/20 0.52
DGKA P23743 1/20 0.50
F7 P08709 1/20 0.48

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
SCHEMBL30833373 0.93 NR1I2 (0.81) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL26109632 0.92 NR1I2 (0.69) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL14899315 0.92 NR1I2 (0.69) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL23700180 0.92 ALDH1A1 (0.70) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL23700179 0.92 ALDH1A1 (0.70) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11330132 0.92 NR1I2 (0.79) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL11330152 0.92 NR1I2 (0.79) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL2381738 0.91 HSD17B10 (0.73) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL9128610 0.91 ALDH1A1 (0.68) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL588207 0.91 ALDH1A1 (0.68) NR1I2PGRADORA3PTGS2PDE4D

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
CN-105213363-B Application of hydroquinone farnesyl compound 中国科学院微生物研究所 2019-03-19 CN disclosed
CN-107519160-A The application of hydroquinones farnesyl class compound 中国科学院微生物研究所 2017-12-29 CN disclosed
CN-105213363-A Application of hydroquinone farnesyl compound CHINESE ACAD INST MICROBIOLOGY 2016-01-06 CN disclosed