SCHEMBL28097034

SCHEMBL28097034

CCC(C)C(C)Cc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
SLC6A2 P23975 3/20 0.57
ESR1 P03372 8/20 0.57
ESR2 Q92731 5/20 0.57
ALOX15 P16050 4/20 0.50
TRPA1 O75762 4/20 0.50
ALOX12 P18054 3/20 0.50
CYP3A4 P08684 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50

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
SCHEMBL20673668 0.91 TAAR1 (0.67) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL20673669 0.91 TAAR1 (0.67) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL14032475 0.86 TAAR1 (0.61) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL13641419 0.86 TAAR1 (0.61) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL1695818 0.83 TRPA1 (0.69) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL20941049 0.81 TAAR1 (0.55) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL28444052 0.81 TAAR1 (0.55) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL24186779 0.80 ESR1 (0.59) TAAR1SLC6A2ESR1ESR2ALOX15
SCHEMBL108844 0.80 ESR1 (0.50) TAAR1SLC6A2ESR1ESR2TRPA1
SCHEMBL16093258 0.80 ESR1 (0.64) TAAR1SLC6A2ESR1ESR2ALOX15

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
CN-106661443-B Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2019-11-29 CN disclosed
CN-105960445-B Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2018-06-05 CN disclosed
CN-106661443-A Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2017-05-10 CN disclosed
CN-105960445-A Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2016-09-21 CN disclosed