SCHEMBL2539786

SCHEMBL2539786

C=C(C)c1ccc(CCCCCCCCCCCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.70
THRB P10828 6/20 0.70
ESR1 P03372 2/20 0.60
ADRA2A P08913 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
TACR2 P21452 2/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
SHBG P04278 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
HSPD1 P10809 1/20 0.60
ADRB3 P13945 1/20 0.60
HTR2C P28335 1/20 0.60

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
SCHEMBL2262722 1.00 THRA (0.70) THRATHRBESR1ADRA2AADORA3
SCHEMBL2776373 0.98 THRA (0.67) THRATHRBESR1ADRA2AADORA3
SCHEMBL21093716 0.95 RARB (0.66) THRATHRBESR1ADRA2AADORA3
SCHEMBL2536910 0.92 THRA (0.59) THRATHRBESR1ADRA2AADORA3
SCHEMBL10615003 0.90 THRA (0.55) THRATHRBESR1ADRA2AADORA3
SCHEMBL7083684 0.85 THRA (0.65) THRATHRBESR1ADRA2AADORA3
SCHEMBL8244845 0.85 THRA (0.65) THRATHRBESR1ADRA2AADORA3
SCHEMBL8812120 0.84 ESR1 (0.64) THRATHRBESR1ADRA2AADORA3
SCHEMBL27833284 0.84 ESR1 (0.64) THRATHRBESR1ADRA2AADORA3
SCHEMBL8028839 0.84 ESR1 (0.64) THRATHRBESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268908-B2 Pigment dispersion liquid, inkjet recording ink, inkjet recording method, ink cartridge and inkjet recording apparatus CANON FINETECH INC. (JP) 2012-09-18 US disclosed
US-8043423-B2 Pigment dispersion liquid, ink jet recording ink, ink jet recording method, ink cartridge and ink jet recording apparatus CANON FINETECH INC. (JP) 2011-10-25 US disclosed
US-20100021635-A1 PIGMENT DISPERSION LIQUID, INKJET RECORDING INK, INKJET RECORDING METHOD, INK CARTRIDGE AND INKJET RECORDING APPARATUS CANON FINETECH INC. (JP) 2010-01-28 US disclosed
US-20090162552-A1 PIGMENT DISPERSION LIQUID, INK JET RECORDING INK, INK JET RECORDING METHOD, INK CARTRIDGE AND INK JET RECORDING APPARATUS CANON FINETECH INC. (JP) 2009-06-25 US disclosed
US-6245862-B1 GOLF BALL COMPRISING COVER AND CORE LAYER, WHEREIN COVER IS FORMED OF COMPOSITION CONSISTING ESSENTIALLY OF AT LEAST ONE IONOMER FORMED FROM THERMOPLASTIC POLYMER HAVING SULFONATE AND/OR PHOSPHONATE MOIETIES ACUSHNET COMPANY 2001-06-12 US disclosed