SCHEMBL9627889

SCHEMBL9627889

CC(CCOC(=O)c1ccc(O)cc1)COC(=O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.60
▸ TSHR P16473 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ SLC6A2 P23975 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MAPK1 P28482 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ NR1H2 P55055 1/20 0.57
▸ RNASEL Q05823 1/20 0.57
▸ ADRB2 P07550 2/20 0.56
▸ ADRB1 P08588 2/20 0.56
▸ ADRB3 P13945 2/20 0.56
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54

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
SCHEMBL9627881 1.00 ESR1 (0.60) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL9345538 0.87 ESR1 (0.65) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL9345519 0.87 ESR1 (0.65) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL22866134 0.86 ESR1 (0.68) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL1257797 0.85 ESR1 (0.66) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL7130973 0.83 MAPT (0.76) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL6937249 0.83 MAPT (0.76) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL7130965 0.83 MAPT (0.76) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL22519359 0.83 ESR1 (0.55) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL18136347 0.83 ESR1 (0.55) ESR1TSHRALDH1A1CHRM1SLC6A2

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
EP-0311257-B1 CHOLESTERIC LIQUID CRYSTAL POLYESTERS NIPPON OIL CO. LTD. (JP) 1992-05-06 — — EP disclosed
US-4891418-A MELT PROCESSABILITY NIPPON OIL COMPANY, LTD. (JP) 1990-01-02 — — US disclosed
EP-0311257-A1 Cholesteric liquid crystal polyesters NIPPON OIL CO. LTD. (JP) 1989-04-12 — — EP disclosed
US-4746722-A HIGH STRENGTH AND MODULUS, REDUCED ANISOTROPY NIPPON OIL COMPANY, LIMITED (JP) 1988-05-24 — — US disclosed
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