SCHEMBL12694295

SCHEMBL12694295

C#Cc1ccc(CN(Cc2ccc(C#C)cc2)Cc2ccc(CO)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 5/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ VHL P40337 1/20 0.31
▸ ELOC Q15369 1/20 0.31
▸ ELOB Q15370 1/20 0.31
▸ LTA4H P09960 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
SCHEMBL516512 0.87 TSHR (0.43) POLBTDP1ALDH1A1TSHRPRSS1
SCHEMBL14488615 0.82 TSHR (0.48) PYCR1HRH3TSHRPRSS1PRSS2
SCHEMBL12694261 0.82 HTT (0.46) PYCR1HRH3POLBALDH1A1TSHR
SCHEMBL16656238 0.80 POLB (0.35) POLBTDP1ALDH1A1TSHRPRSS1
SCHEMBL121914 0.80 PYCR1 (0.40) PYCR1HRH3HDAC8CNR2
SCHEMBL578620 0.78 HRH3 (0.59) PYCR1HRH3HDAC8
SCHEMBL12344341 0.76 PYCR1 (0.37) PYCR1HRH3CNR2
SCHEMBL13183350 0.73 PYCR1 (0.38) PYCR1HRH3CNR2
SCHEMBL578205 0.72 HRH3 (0.56) PYCR1HRH3ALDH1A1TSHRHDAC8
SCHEMBL11957479 0.72 PYCR1 (0.37) PYCR1HRH3CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807436-B1 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES INC (US) 2014-06-18 — — EP disclosed
EP-2502941-A1 Heterobifunctional poly (ethylene glycol) and uses thereof Intezyne Technologies Inc. (US) 2012-09-26 — — EP disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 — — US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 — — US disclosed
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