SCHEMBL8927870

SCHEMBL8927870

C#CC#CC#CC#CC#COc1cc(/C=C/C)c(OCCCCCCCCCC)cc1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL13377601 0.82 ESR1 (0.41) ESR1THRATHRBALDH1A1HPGD
SCHEMBL12744851 0.82 ESR1 (0.41) ESR1THRATHRBALDH1A1HPGD
SCHEMBL13759588 0.78 HMGCR (0.47) ESR1THRATHRBALDH1A1HPGD
SCHEMBL13030818 0.78 HMGCR (0.47) ESR1THRATHRBALDH1A1HPGD
SCHEMBL14570394 0.78 HMGCR (0.47) ESR1THRATHRBALDH1A1HPGD
SCHEMBL13324429 0.78
SCHEMBL16502168 0.78 ESR1 (0.39) ESR1THRATHRBALDH1A1HPGD
SCHEMBL15440625 0.78 ESR1 (0.39) ESR1THRATHRBALDH1A1HPGD
SCHEMBL12018819 0.76 CHUK (0.32) ESR1THRBALDH1A1HPGD
SCHEMBL13201752 0.76 HMGCR (0.42) ESR1THRATHRBALDH1A1HPGD

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
US-8188485-B2 Detection system having a light emitting diode NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2012-05-29 US disclosed
US-7723711-B2 Disposable optical sensor and method of manufacturing same NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOCK TNO (NL) 2010-05-25 US disclosed
US-20070102654-A1 Sensor comprising polymeric components NEDERLANDSE ORGANISATIE VOOR TOEGEPAST- NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2007-05-10 US disclosed