SCHEMBL4392583

SCHEMBL4392583

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
S1PR3 Q99500 5/20 0.40
CYP1A2 P05177 1/20 0.39
PLA2G2A P14555 1/20 0.39
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA9 Q16790 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
UGT1A7 Q9HAW7 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 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
SCHEMBL436705 0.89 LCK (0.62) LCKFYNS1PR3CYP1A2PLA2G2A
SCHEMBL2778248 0.87 LCK (0.59) LCKFYNS1PR3CYP1A2PLA2G2A
SCHEMBL2775366 0.82 LCK (0.53) LCKFYNS1PR3CYP1A2PLA2G2A
SCHEMBL2774785 0.82 LCK (0.53) LCKFYNS1PR3CA2CA12
SCHEMBL2774296 0.82 LCK (0.83) LCKFYNCYP1A2CA2CA12
Propane SCHEMBL28160939 0.82 LCK (0.83) LCKFYNS1PR3CYP1A2PLA2G2A
SCHEMBL27505380 0.81 LCK (0.65) LCKFYNS1PR3CYP1A2PLA2G2A
SCHEMBL27505379 0.81 LCK (0.65) LCKFYNS1PR3CYP1A2PLA2G2A
SCHEMBL2776732 0.81 LCK (0.51) LCKFYNS1PR3CYP1A2PLA2G2A
Di(Hydroxyethyl)Ether SCHEMBL28643732 0.81 LCK (0.51) LCKFYNS1PR3CYP1A2PLA2G2A

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
CN-112639183-A Spun yarn comprising polyester staple fibers and fabric comprising said spun yarn 杜邦工业生物科学美国有限责任公司 2021-04-09 CN disclosed
EP-1142955-B2 POLYESTER RESIN COMPOSITION AND FIBER ASAHI CHEMICAL IND (JP) 2009-12-16 EP disclosed
EP-1142955-B1 POLYESTER RESIN COMPOSITION AND FIBER ASAHI CHEMICAL IND (JP) 2006-06-21 EP disclosed
US-6680353-B1 Polyester resin composition and fiber ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-01-20 US disclosed
EP-1142955-A1 POLYESTER RESIN COMPOSITION AND FIBER Asahi Kasei Kabushiki Kaisha (JP) 2001-10-10 EP disclosed