SCHEMBL28851349

SCHEMBL28851349

CCCCC(CCC)CCc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.56
▸ ADRA2A P08913 3/20 0.56
▸ SLC6A2 P23975 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ TACR2 P21452 2/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ SLC6A3 Q01959 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SHBG P04278 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HSPD1 P10809 1/20 0.56
▸ ADRB3 P13945 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HSPE1 P61604 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ TST Q16762 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
SCHEMBL982248 0.96 ESR1 (0.60) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL980316 0.91 ESR1 (0.63) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL22782571 0.90 ESR1 (0.49) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL23577072 0.89 ESR1 (0.67) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL980347 0.89 ESR1 (0.67) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL27893901 0.89 ESR1 (0.67) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL982852 0.89 ESR1 (0.67) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL982302 0.89 ESR1 (0.67) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL984893 0.89 ESR1 (0.67) ESR1ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL17509803 0.89 ESR1 (0.67) ESR1ADRA2ASLC6A2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566066-B Interlayer film for laminated glass and laminated glass 积水化学工业株式会社 2022-09-30 — — CN disclosed
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