SCHEMBL11209225

SCHEMBL11209225

CCCCC(CCC(=O)OC)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.68
ESR2 Q92731 6/20 0.68
MIF P14174 1/20 0.43
HSD17B3 P37058 7/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
ESRRB O95718 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11208821 0.86 ESR1 (0.56) ESR1ESR2MIFCNR1CNR2
SCHEMBL656272 0.83 ESR1 (0.74) ESR1ESR2MIFHSD17B3ALDH1A1
SCHEMBL9573742 0.82 ESR1 (1.00) ESR1ESR2ALDH1A1CYP3A4LMNA
SCHEMBL6561244 0.79 ESR1 (0.92) ESR1ESR2
Valeric Acid SCHEMBL5788726 0.78 ESR1 (0.64) ESR1ESR2MIFHSD17B3CNR1
SCHEMBL3470640 0.78 ESR1 (0.65) ESR1ESR2HSD17B3ALDH1A1CYP3A4
SCHEMBL3471623 0.78 ESR1 (0.65) ESR1ESR2HSD17B3ALDH1A1CYP3A4
SCHEMBL3471552 0.78 ESR1 (0.65) ESR1ESR2HSD17B3ALDH1A1CYP3A4
SCHEMBL11673190 0.77 ESR1 (0.88) ESR1ESR2HSD17B3ALDH1A1CYP3A4
SCHEMBL3125861 0.76 ESR1 (0.67) ESR1ESR2MIFCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006561-B1 LIGHT-SENSITIVE COMPOSITION HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
EP-0006561-A1 Light-sensitive composition HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-09 EP disclosed