SCHEMBL8781306

SCHEMBL8781306

CCCCCCCCCCCCCCC(c1ccc(O)cc1)(c1ccc(O)cc1)C(CCCCCCCCCCCCC)(CCCCCCCCCCCCC)CCCCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.55
▸ ESR2 Q92731 4/20 0.55
▸ ADRA2A P08913 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSPD1 P10809 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HSPE1 P61604 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TST Q16762 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
SCHEMBL28971822 0.81 ESR1 (0.63) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL11501040 0.81 ESR1 (0.62) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1691543 0.79 ESR1 (0.60) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL10976680 0.79 ESR1 (0.85) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL6743890 0.79 ESR1 (0.60) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL27730143 0.79 ESR1 (0.66) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL6744335 0.79 ESR1 (0.60) ESR1ESR2ADRA2AADORA3TACR2
SCHEMBL1406308 0.79 CNR2 (0.34) ESR1ESR2CNR1CNR2
SCHEMBL11811693 0.79 CNR2 (0.34) ESR1ESR2CNR1CNR2
SCHEMBL10752311 0.78 ESR1 (0.58) ESR1ESR2ADRA2AADORA3TACR2

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-0534189-B1 Method for producing polycarbonate MITSUBISHI CHEM CORP (JP) 1997-12-10 — — EP claimed
US-5250655-A Ester interchange catalyst; non-phosgene method MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1993-10-05 — — US claimed
EP-0534189-A1 Method for producing polycarbonate MITSUBISHI CHEMICAL CORPORATION (JP) 1993-03-31 — — EP claimed
EP-0534189-B1 Method for producing polycarbonate MITSUBISHI CHEM CORP (JP) 1997-12-10 — — EP disclosed
US-5250655-A Ester interchange catalyst; non-phosgene method MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1993-10-05 — — US disclosed
EP-0534189-A1 Method for producing polycarbonate MITSUBISHI CHEMICAL CORPORATION (JP) 1993-03-31 — — EP disclosed
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