SCHEMBL7134181

SCHEMBL7134181

C=Cc1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 2/20 0.59
AKT1 P31749 1/20 0.43
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
HDAC1 Q13547 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
S1PR3 Q99500 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAOB P27338 1/20 0.35
MAPK1 P28482 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL28409301 0.86 ALDH1A1 (0.59) ALDH1A1TSHRAKT1HDAC2TDP1
SCHEMBL8383017 0.84 ALDH1A1 (0.56) ALDH1A1TSHRAKT1HDAC2TDP1
SCHEMBL4884648 0.82 CES2 (0.65) ALDH1A1TSHRAKT1HDAC2CES2
SCHEMBL39787 0.82 ALDH1A1 (0.61) ALDH1A1TSHRAKT1HDAC2TDP1
Hydrochloric Acid SCHEMBL31298885 0.80 CES2 (0.62) ALDH1A1TSHRAKT1HDAC2CES2
Styrene SCHEMBL4259704 0.79 ALDH1A1 (0.93) ALDH1A1TSHRAKT1HDAC2TDP1
Styrene SCHEMBL490169 0.79 ALDH1A1 (0.93) ALDH1A1TSHRAKT1TDP1LMNA
Hydrogen Peroxide SCHEMBL28624206 0.79 ALDH1A1 (0.85) ALDH1A1TSHRAKT1HDAC2TDP1
Hydrochloric Acid SCHEMBL6544642 0.79 CES2 (0.60) ALDH1A1TSHRAKT1HDAC2CES2
Styrene SCHEMBL3804735 0.77 ALDH1A1 (0.61) ALDH1A1TSHRAKT1TDP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115612002-B Preparation method of vinyl polymer 中国科学院福建物质结构研究所 2024-02-23 CN disclosed
US-6506704-B1 Forming a non-ionic (neutral) late transition metal chelate which is useful as a catalyst for the polymerization of olefins CRYOVAC, INC. 2003-01-14 US disclosed
EP-1179025-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME Cryovac, Inc. (US) 2002-02-13 EP disclosed
EP-1171482-A1 OLEFIN POLYMERIZATION CATALYSTS AND PROCESSES FOR MAKING AND USING SAME Cryovac, Inc. (US) 2002-01-16 EP disclosed
EP-1171481-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME Cryovac, Inc. (US) 2002-01-16 EP disclosed
US-6197714-B1 USEFUL IN SLURRY AND GAS PHASE POLYMERIZATION OF OLEFINS CRYOVAC, INC. 2001-03-06 US disclosed
US-6197715-B1 USEFUL IN SLURRY AND GAS PHASE POLYMERIZATION OF OLEFINS CRYOVAC, INC. 2001-03-06 US disclosed
WO-2000056785-A1 OLEFIN POLYMERIZATION CATALYSTS AND PROCESSES FOR MAKING AND USING SAME CRYOVAC, INC. (US) 2000-09-28 WO disclosed
WO-2000056786-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME CRYOVAC, INC. (US) 2000-09-28 WO disclosed
WO-2000056787-A1 SUPPORTED CATALYSTS AND OLEFIN POLYMERIZATION PROCESSES UTILIZING SAME CRYOVAC, INC. (US) 2000-09-28 WO disclosed