SCHEMBL1950755

SCHEMBL1950755

C=C(CC)C(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 3/20 0.38
HTR2A P28223 2/20 0.38
TRPA1 O75762 5/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNQ2 O43526 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
HRH1 P35367 1/20 0.34
AOC3 Q16853 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL27575979 0.77 LMNA (0.45) LMNATAAR1TRPA1ATMHPGD
SCHEMBL10618424 0.77 HPGD (0.52) LMNATRPA1ATMHPGDAOC3
SCHEMBL16488395 0.77 LMNA (0.45) LMNATAAR1HTR2AALDH1A1
SCHEMBL7939443 0.76 TSHR (0.46) LMNATSHRHPGDALDH1A1
SCHEMBL10645733 0.73 TSHR (0.48) LMNATSHRHPGD
SCHEMBL19734572 0.72 LMNA (0.41) LMNATRPA1ATMHPGDALDH1A1
SCHEMBL16560504 0.71 TSHR (0.46) LMNATSHRTAAR1HTR2AHPGD
SCHEMBL28308616 0.70 TSHR (0.50) LMNATSHRTRPA1HPGDALDH1A1
SCHEMBL10984767 0.69 TSHR (0.48) LMNATSHRTRPA1HPGDALDH1A1
SCHEMBL24038522 0.68 ADRB2 (0.40) LMNATSHRAOC3

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