SCHEMBL7782844

SCHEMBL7782844

CCCCC(C)COc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.56
NR5A1 Q13285 1/20 0.56
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRB3 P13945 6/20 0.43
ADRB2 P07550 5/20 0.43
ADRB1 P08588 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22522160 0.91 SLC2A1 (0.44) LTA4HNR5A1MAPK1
SCHEMBL7785554 0.89 LTA4H (0.50) LTA4HNR5A1PTGS1SLC6A2ADRB3
SCHEMBL10525288 0.86 LTA4H (0.66) LTA4HNR5A1ABCG2ESR1
SCHEMBL10525866 0.83 NR5A1 (0.72) LTA4HNR5A1ABCG2LMNATSHR
SCHEMBL10525466 0.83 NR5A1 (0.72) LTA4HNR5A1ABCG2LMNATSHR
SCHEMBL6683927 0.82 LMNA (0.53) LTA4HPTGS1ADRB3ADRB2ADRB1
SCHEMBL15029217 0.82 LMNA (0.53) LTA4HPTGS1ADRB3ADRB2ADRB1
SCHEMBL6937523 0.82 FFAR1 (0.54) LTA4HNR5A1PTGS1SLC6A2ADRB3
SCHEMBL8912305 0.82 FFAR1 (0.54) LTA4HNR5A1PTGS1SLC6A2ADRB3
SCHEMBL2045373 0.81 LTA4H (0.54) LTA4HNR5A1PTGS1SLC6A2ABCG2

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
EP-0873881-B1 Reversible thermochromic compositions PILOT INK CO LTD (JP) 2001-10-17 EP disclosed
US-5919404-A MIXTURE OF COLOR DEVELOPING COMPOUND AND ELECTRON ACCEPTORALKOXYPHENOL COMPOUND THE PILOT INK CO., LTD. (JP) 1999-07-06 US disclosed
EP-0873881-A1 Reversible thermochromic compositions The Pilot Ink CO., Ltd. (JP) 1998-10-28 EP disclosed