SCHEMBL2775894

SCHEMBL2775894

CC[PH](CC)(CC)CC.O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.71
FYN P06241 1/20 0.71
CYP1A2 P05177 1/20 0.44
TPMT P51580 1/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
UGT1A7 Q9HAW7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
S1PR3 Q99500 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
Propane SCHEMBL28160939 0.89 LCK (0.83) LCKFYNCYP1A2TPMTCA12
Di(Hydroxyethyl)Ether SCHEMBL28644148 0.88 LCK (0.56) LCKFYNCYP1A2CA12CA2
SCHEMBL2778248 0.88 LCK (0.59) LCKFYNCYP1A2CA12CA2
SCHEMBL2774296 0.85 LCK (0.83) LCKFYNCYP1A2TPMTCA12
SCHEMBL63440 0.84 LCK (1.00) LCKFYNCYP1A2TPMTCA12
SCHEMBL31031074 0.84 LCK (1.00) LCKFYNCYP1A2TPMTCA12
SCHEMBL436705 0.83 LCK (0.62) LCKFYNCYP1A2CA12CA2
SCHEMBL1723587 0.83 LCK (0.87) LCKFYNCYP1A2TPMTCA12
SCHEMBL433794 0.82 LCK (0.95) LCKFYNCYP1A2TPMTCA12
Phosphine SCHEMBL1930715 0.82 LCK (0.95) LCKFYNCYP1A2TPMTCA12

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
CN-112831042-A Antistatic polyester composition, preparation method thereof and polyester film 东丽纤维研究所(中国)有限公司 2021-05-25 CN disclosed
US-8297035-B2 Normal pressure cationic dyeable polyester and fiber TEIJIN FIBERS LIMITED (JP) 2012-10-30 US disclosed
US-20100275568-A1 NORMAL PRESSURE CATIONIC DYEABLE POLYESTER AND FIBER TEIJIN FIBERS LIMITED (JP) 2010-11-04 US disclosed
EP-2233510-A1 NORMAL PRESSURE CATION DYEABLE POLYESTER AND FIBER Teijin Fibers Limited (JP) 2010-09-29 EP disclosed