SCHEMBL7182270

SCHEMBL7182270

CCCCc1ccc(P(C(=O)c2c(Cl)cccc2Cl)C(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.47
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
RARB P10826 1/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
EP300 Q09472 1/20 0.39
KAT5 Q92993 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EIF4A1 P60842 1/20 0.38
CTRC Q99895 1/20 0.38
CNR2 P34972 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
SCHEMBL3420869 0.91 ALDH1A1 (0.41) PLK1ALDH1A1THRBPOLBCNR2
SCHEMBL22499724 0.78 PLK1 (0.40) PLK1ALDH1A1THRBPOLBCNR2
SCHEMBL11897801 0.76 ALDH1A1 (0.47) ALDH1A1HPGD
SCHEMBL10527004 0.75 TAS1R3 (0.44) PLK1POLB
SCHEMBL9515898 0.74 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL76776 0.73 PLK1 (0.49) PLK1ALDH1A1HPGDHSD17B10AKR1C2
Decane SCHEMBL8529247 0.72 PLK1 (0.44) PLK1ALDH1A1HPGDCNR2
SCHEMBL15824404 0.70 PLK1 (0.49) PLK1ALDH1A1HPGDHSD17B10AKR1C2
SCHEMBL7604301 0.70 NPC1 (0.52) PLK1ALDH1A1HPGDTRPV1POLB
SCHEMBL4331990 0.70 PLK1 (0.42) PLK1ALDH1A1HPGDEP300KAT5

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
EP-1002244-B1 METHOD OF PREPARING FOLDABLE HIGH REFRACTIVE INDEX ACRYLIC OPHTHALMIC DEVICE MATERIALS ALCON LAB INC (US) 2003-02-26 EP claimed
EP-1002243-B1 METHOD OF PREPARING FOLDABLE HYDROPHILIC OPHTHALMIC DEVICE MATERIALS ALCON LAB INC (US) 2001-11-14 EP claimed
EP-3724699-B1 METHOD FOR PRODUCING MPS-COMPATIBLE WATER GRADIENT CONTACT LENSES ALCON INC (CH) 2023-07-26 EP disclosed
EP-3634733-A1 SILICONE HYDROGEL CONTACT LENSES ALCON INC. (CH) 2020-04-15 EP disclosed
WO-2018224976-A1 SILICONE HYDROGEL CONTACT LENSES NOVARTIS AG (CH) 2018-12-13 WO disclosed