SCHEMBL1950756

SCHEMBL1950756

CCC=CC(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 4/20 0.34
HTR2A P28223 4/20 0.34
HRH1 P35367 3/20 0.34
TRPA1 O75762 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MIF P14174 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL6946458 0.78 LMNA (0.41) TSHRLMNATAAR1HTR2AHRH1
SCHEMBL18929946 0.78 TSHR (0.44) TSHRLMNATAAR1HTR2AHRH1
SCHEMBL691655 0.77 TRPA1 (0.47) TSHRLMNATAAR1HTR2ATRPA1
SCHEMBL691654 0.77 TRPA1 (0.47) TSHRLMNATAAR1HTR2ATRPA1
SCHEMBL6568105 0.76 TSHR (0.46) TSHRLMNATAAR1HTR2AHRH1
SCHEMBL96430 0.75 LMNA (0.48) LMNATRPA1ALDH1A1
SCHEMBL2243794 0.75 LMNA (0.48) LMNATRPA1ALDH1A1
SCHEMBL1101279 0.75 DPP4 (0.41) LMNATAAR1HTR2A
SCHEMBL9774973 0.73 TSHR (0.48) TSHRLMNATAAR1HTR2AHRH1
SCHEMBL11880021 0.73 TSHR (0.48) TSHRLMNATAAR1HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138230-B1 Free Radical Post-Crosslinked Adsorbent and Method of Preparation ROHM & HAAS (US) 2015-01-21 EP disclosed
US-8076384-B2 Free radical post-crosslinked adsorbent and method of preparation ROHM AND HAAS COMPANY (US) 2011-12-13 US disclosed
US-20110136926-A1 Catalysts for Olefin Hydration and Method of Preparation ROHM AND HAAS COMPANY 2011-06-09 US disclosed
US-20090326086-A1 Free radical post-crosslinked adsorbent and method of preparation ROHM AND HAAS COMPANY 2009-12-31 US disclosed
US-20090325798-A1 Friedel-crafts post-crosslinked adsorbent and method of preparation XU MANCAI 2009-12-31 US disclosed
EP-2138230-A2 Free Radical Post-Crosslinked Adsorbent and Method of Preparation Rohm and Haas Company (US) 2009-12-30 EP disclosed
EP-2138229-A2 Friedel-Crafts Post-Crosslinked Adsorbent and Method of Preparation Rohm and Haas Company (US) 2009-12-30 EP disclosed