SCHEMBL28837273

SCHEMBL28837273

[O]C(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTPN1 P18031 1/20 0.38
ACP3 P15309 2/20 0.38
CYP2D6 P10635 1/20 0.37
TSHR P16473 3/20 0.36
DPP4 P27487 2/20 0.36
KCNN4 O15554 1/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4274555 0.80 SRC (0.39) SRCCES2CES1PTPN1ACP3
SCHEMBL4274915 0.78 SRC (0.38) SRCCES2CES1PTPN1ACP3
SCHEMBL5042134 0.77 ATM (0.42) SRCCES2CES1CYP2D6TSHR
SCHEMBL544573 0.74 TSHR (0.39) SRCCYP2D6TSHRDPP4KCNN4
SCHEMBL4284038 0.73 SRC (0.34) SRCCES2CES1PTPN1ACP3
SCHEMBL4279202 0.73 SRC (0.34) SRCCES2CES1PTPN1ACP3
SCHEMBL6741619 0.72 TAAR1 (0.41) CYP2D6DPP4KCNN4F2ALDH1A1
SCHEMBL382252 0.72 ACP3 (0.42) SRCCES2CES1PTPN1ACP3
SCHEMBL17956469 0.72 TSHR (0.43) SRCCES2CES1CYP2D6TSHR
SCHEMBL28952946 0.70 TSHR (0.48) TSHRDPP4KCNN4F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536685-A Tetraarylmethane ethers as markers for fuels 罗门哈斯公司 2017-03-22 CN disclosed
CN-106536683-A Tetraarylmethane ethers as fuel and oil markers 罗门哈斯公司 2017-03-22 CN disclosed