SCHEMBL13620055

SCHEMBL13620055

C=Cc1cc(OCCCCCCCC)c(Br)cc1OCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.40
THRB P10828 4/20 0.40
PTPN1 P18031 4/20 0.39
LMNA P02545 1/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
SMPD1 P17405 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL15899247 0.90 TLR8 (0.40) THRBLMNAS1PR3SMPD1NPSR1
SCHEMBL16011046 0.90 TLR8 (0.40) THRBLMNAS1PR3SMPD1NPSR1
SCHEMBL16010995 0.90 TLR8 (0.40) THRBLMNAS1PR3SMPD1NPSR1
SCHEMBL2190590 0.90 TLR8 (0.40) THRBLMNAS1PR3SMPD1NPSR1
SCHEMBL2049161 0.85 THRA (0.49) THRATHRBLMNAS1PR3S1PR2
SCHEMBL197292 0.85 THRA (0.49) THRATHRBLMNAS1PR3S1PR2
SCHEMBL339687 0.85 THRA (0.49) THRATHRBLMNAS1PR3S1PR2
SCHEMBL2053781 0.85 THRA (0.49) THRATHRBLMNAS1PR3S1PR2
SCHEMBL339836 0.85 THRA (0.49) THRATHRBLMNAS1PR3S1PR2
SCHEMBL2040993 0.84 LMNA (0.53) THRATHRBPTPN1LMNAS1PR3

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
US-20090275782-A1 Quantum Dots Tailored with Electronically-Active Polymers NATIONAL SCIENCE FOUNDATION 2009-11-05 US disclosed
US-7589240-B2 Quantum dots tailored with electronically-active polymers UNIVERSITY OF MASSACHUSETTS (US) 2009-09-15 US disclosed