SCHEMBL9653199

SCHEMBL9653199

CCCOC(=O)C1=C(C(=O)OCCC)C(=O)C(C(=O)OCCC)=C(C(=O)OCCC)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
ESR1 P03372 1/20 0.48
CHRM1 P11229 1/20 0.48
SLC6A2 P23975 1/20 0.48
KDR P35968 1/20 0.48
STS P08842 1/20 0.43
KDM4E B2RXH2 4/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9657964 0.93 ALDH1A1 (0.50) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9626460 0.86 TSHR (0.55) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9658210 0.83 ALDH1A1 (0.58) ALDH1A1LMNATSHRESR1STS
SCHEMBL9659257 0.83 ALDH1A1 (0.58) ALDH1A1LMNATSHRESR1STS
SCHEMBL9658916 0.81 LMNA (0.65) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9658899 0.80 TSHR (0.53) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9626490 0.80 ALDH1A1 (0.49) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL11004733 0.77 ALDH1A1 (0.58) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL12756270 0.71 LMNA (0.67) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL17705862 0.71 ALDH1A1 (0.52) ALDH1A1LMNATSHRTDP1ESR1

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-0244219-B1 TEMPERATURE HISTORY INDICATOR AND ITS MANUFACTURE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-10-21 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
EP-0244219-A2 Temperature history indicator and its manufacture MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-11-04 EP disclosed