SCHEMBL2554095

SCHEMBL2554095

CCC(C#N)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
CCR1 P32246 1/20 0.40
POLB P06746 2/20 0.39
ESR1 P03372 5/20 0.36
ESR2 Q92731 5/20 0.36
SGMS2 Q8NHU3 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
BCHE P06276 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
SCHEMBL22444557 0.85 TSHR (0.48) TSHRGABRA1GABRB2CCR1POLB
SCHEMBL18284602 0.81 CCR1 (0.46) TSHRGABRA1GABRB2CCR1POLB
SCHEMBL5425503 0.81 TSHR (0.57) TSHRGABRA1GABRB2POLBESR1
SCHEMBL10600832 0.81 TSHR (0.42) TSHRGABRA1GABRB2CCR1POLB
SCHEMBL22444762 0.80 CCR1 (0.46) TSHRGABRA1GABRB2CCR1ALDH1A1
SCHEMBL22444451 0.80 CCR1 (0.46) TSHRGABRA1GABRB2CCR1ALDH1A1
SCHEMBL22444566 0.80 CCR1 (0.46) TSHRGABRA1GABRB2CCR1ALDH1A1
SCHEMBL8646951 0.78 TSHR (0.35) TSHRESR1ESR2SGMS2ALDH1A1
SCHEMBL5860173 0.77 ALDH1A1 (0.42) TSHRCCR1SGMS2ALDH1A1CYP2C9
SCHEMBL29061986 0.77 CCR1 (0.39) TSHRCCR1ALDH1A1CYP2C9CYP3A4

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
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed
US-8858656-B2 Method for thermally cleaving organic waste having high molecular weight NEXXOIL AG (CH) 2014-10-14 US disclosed
US-20130091761-A1 METHOD FOR THERMALLY CLEAVING ORGANIC WASTE HAVING HIGH MOLECULAR WEIGHT Hochschule Fur Angewandte Wissenschaften Hamburg (Haw Hamburg) (DE) 2013-04-18 US disclosed
EP-2558550-A2 METHOD FOR THERMALLY CLEAVING ORGANIC WASTE HAVING HIGH MOLECULAR WEIGHT NEXXOIL AG (CH) 2013-02-20 EP disclosed
WO-2011127881-A2 METHOD FOR THERMALLY CLEAVING ORGANIC WASTE HAVING HIGH MOLECULAR WEIGHT Hochschule für Angewandte Wissenschaften Hamburg (HAW Hamburg) (DE) 2011-10-20 WO disclosed