SCHEMBL10599990

SCHEMBL10599990

CCCC(=O)c1cc(CC)c(O)c(CC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.53
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
FASN P49327 2/20 0.40
STS P08842 1/20 0.39
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 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
SCHEMBL10760941 0.83 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2L3MBTL1GABRA1
SCHEMBL20207163 0.81 HSD17B3 (0.55) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL7304310 0.79 HPGD (0.57) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL6727835 0.79 HSD17B3 (0.53) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL10600090 0.79 HSD17B3 (0.53) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL8092896 0.78 GABRA1 (0.48) ALDH1A1GABRA1GABRB2FASNPTGS1
SCHEMBL9417188 0.78 ESR1 (0.53) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL12232545 0.77 HSD17B3 (0.55) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL10497530 0.77 HSD17B3 (0.55) HSD17B3HPGDALDH1A1ALOX15TSHR
SCHEMBL9417154 0.76 ESR1 (0.51) HSD17B3HPGDALDH1A1ALOX15TSHR

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-0173279-B1 2-(3,5-DIALKYL-4-HYDROXYPHENYL)INDOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-08-23 EP disclosed
US-4695581-A LIPOXYGENASE INHIBITOR TEIKOKU HORMONE MFG. CO., LTD. (JP) 1987-09-22 US disclosed
EP-0173279-A1 2-(3,5-Dialkyl-4-hydroxyphenyl)indole derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1986-03-05 EP disclosed