SCHEMBL5077634

SCHEMBL5077634

COCC(CO)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
FDPS P14324 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP8 P22894 2/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRA P18433 1/20 0.35
PTPRB P23467 1/20 0.35

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
SCHEMBL813617 0.88 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL12346176 0.81 TSHR (0.50) SLC6A2TAAR1KDM4EPOLBCYP1A2
SCHEMBL2489390 0.81 TSHR (0.50) SLC6A2TAAR1KDM4EPOLBCYP1A2
SCHEMBL18929793 0.80 KDM4E (0.57) KDM4EPOLBTSHRTDP1PTPRB
SCHEMBL17965759 0.79 SLC6A2 (0.39) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL17965816 0.79 TRPA1 (0.38) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL17965823 0.78 TRPA1 (0.40) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL28987347 0.78 CYP1A2 (0.41) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL9514621 0.78 SLC6A2 (0.45) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL3964165 0.77 SLC6A2 (0.37) SLC6A2TAAR1LMNACYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399812-B2 Silicon ether compounds and a method for the preparation thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-07-15 US disclosed
US-7323431-B2 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-01-29 US disclosed
US-20060183873-A1 Silicon ether compounds and a method for the preparation thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-08-17 US disclosed
US-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US disclosed