SCHEMBL9626460

SCHEMBL9626460

CCCCOC(=O)C1=C(C(=O)OCCCC)C(=O)C(C(=O)OCCCC)=C(C(=O)OCCCC)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.52
ESR1 P03372 7/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2D6 P10635 1/20 0.52
NR1H2 P55055 1/20 0.52
RNASEL Q05823 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 1/20 0.50
PDE4D Q08499 1/20 0.50
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.48
STS P08842 2/20 0.47
HSD17B10 Q99714 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
SCHEMBL9658899 0.94 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1ESR1
SCHEMBL9659257 0.92 ALDH1A1 (0.58) TSHRALDH1A1ESR1LMNAMAPK1
SCHEMBL9658210 0.92 ALDH1A1 (0.58) TSHRALDH1A1ESR1LMNAMAPK1
SCHEMBL9653199 0.86 ALDH1A1 (0.52) TSHRTDP1L3MBTL1ALDH1A1ESR1
SCHEMBL9626452 0.84 ESR1 (0.50) TSHRTDP1L3MBTL1ALDH1A1ESR1
SCHEMBL9657964 0.80 ALDH1A1 (0.50) TSHRTDP1L3MBTL1ALDH1A1ESR1
SCHEMBL11004877 0.79 ESR1 (0.66) TSHRTDP1L3MBTL1ALDH1A1ESR1
SCHEMBL9658924 0.79 TSHR (0.44) TSHRTDP1L3MBTL1ALDH1A1ESR1
SCHEMBL11221352 0.79 ESR1 (0.45) TSHRTDP1L3MBTL1ALDH1A1ESR1
SCHEMBL9626183 0.77 ALDH1A1 (0.51) TSHRALDH1A1ESR1LMNAMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244219-B1 TEMPERATURE HISTORY INDICATOR AND ITS MANUFACTURE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-21 EP disclosed
EP-0156912-B1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-13 EP disclosed
US-4931420-A COLOR CHANGING LABELS, CHIPS FOR STORED FOODS, MEDICINES, BLOOD; RUPTURABLE CAPSULES CONTAINING DYE AND DEVELOPER MITSUI TOATSU CHEMICALS, INC. (JP) 1990-06-05 US disclosed
US-4729671-A FOR FROZEN FOODS AND DRUGS, METHANE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1988-03-08 US disclosed
EP-0244219-A2 Temperature history indicator and its manufacture MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP disclosed
EP-0156912-A1 TEMPERATURE SUPERVISION AND DISPLAY UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-10-09 EP disclosed