SCHEMBL11066029

SCHEMBL11066029

CCCCc1c(C)cccc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
IAPP P10997 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38

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
SCHEMBL9656297 0.89 TSHR (0.45) GABRA1GABRB2TSHRCYP1A2CYP3A4
SCHEMBL9734513 0.89 CYSLTR2 (0.42) TSHRCYP3A4CYP2D6CYP2C9CYSLTR2
SCHEMBL28383703 0.89 GABRA1 (0.46) GABRA1GABRB2BIDMCL1BCL2L1
SCHEMBL11366393 0.88 TSHR (0.40) TSHRCYSLTR2CYSLTR1BIDMCL1
SCHEMBL28493061 0.86 CYSLTR2 (0.40) TSHRCYP3A4CYP2D6CYP2C9CYSLTR2
SCHEMBL9240455 0.84 SKP2 (0.42) TSHRCYP1A2NPSR1SKP2
SCHEMBL18617124 0.84 TAAR1 (0.44) TSHRCYSLTR2CYSLTR1TAAR1LIPG
SCHEMBL9047350 0.84 GABRA1 (0.39) GABRA1GABRB2TSHRCYP1A2CYP3A4
SCHEMBL7169105 0.83 LIPG (0.48) CYSLTR2CYSLTR1BIDMCL1BCL2L1
SCHEMBL27604604 0.83 BID (0.47) GABRA1GABRB2BIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344289-A Nitrogen-containing heterocyclic compound, high polymer, mixture, composition and application thereof 广州华睿光电材料有限公司 2020-06-26 CN disclosed
CN-111278819-A Bipolar compound, high polymer, mixture, composition, organic electronic device and application 广州华睿光电材料有限公司 2020-06-12 CN disclosed
CN-111278838-A Boron-containing heterocyclic compounds, polymers, mixtures, compositions and uses thereof 广州华睿光电材料有限公司 2020-06-12 CN disclosed
CN-110746442-A Imidazole spiro-containing compound and application thereof 广州华睿光电材料有限公司 2020-02-04 CN disclosed
CN-110746409-A Organic compounds, mixtures, compositions, and electronic devices and applications 广州华睿光电材料有限公司 2020-02-04 CN disclosed
US-4450279-A PHOTOPOLYMERIZATION SENSITIZERS FOR UNSATURATED MONOMERS; RAPID HARDENING; STORAGE STABILITY NIPPON, KAYAKU, KABUSHIKI, KAISHA (JP) 1984-05-22 US disclosed