SCHEMBL7600768

SCHEMBL7600768

C=Cc1ccc(C(=O)Nc2ccccc2Oc2cccc(S(=O)(=O)c3cccc(Oc4ccccc4NC(=O)c4ccc(C=C)cc4)c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
KLK1 P06870 1/20 0.48
PRSS1 P07477 1/20 0.48
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MAPT P10636 1/20 0.45
PYGM P11217 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
CACNA1H O95180 2/20 0.43
PYGL P06737 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CACNA1B Q00975 1/20 0.43
HDAC2 Q92769 1/20 0.42

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
SCHEMBL7601858 0.90 MAPT (0.49) F10PLGPLATKLK1PRSS1
SCHEMBL7602849 0.88 CNR1 (0.50) F10CNR1CNR2MAPTSMN1; SMN2
SCHEMBL7599022 0.84 GAA (0.56) L3MBTL1CYP2C9PTGDR2TDP1ALDH1A1
SCHEMBL7601098 0.83 TDP1 (0.48) F10PLGPLATKLK1PRSS1
SCHEMBL7603821 0.80 MAPT (0.53) F10PLGPLATKLK1PRSS1
SCHEMBL7601893 0.79 GAA (0.55) L3MBTL1CYP2C9PTGDR2ALDH1A1GAA
SCHEMBL7599476 0.76 PTGDR2 (0.46) MAPTPYGML3MBTL1LMNAPTGDR2
SCHEMBL7597944 0.76 GAA (0.47) MAPTSMN1; SMN2L3MBTL1PTGDR2TDP1
SCHEMBL7599610 0.74 CYP1A2 (0.46) F10PLGPLATKLK1PRSS1
SCHEMBL7599617 0.74 KMT2A (0.39) CNR1CNR2MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913713-B1 Crosslinkable compound and an optical material employing it MENICON CO LTD (JP) 2002-12-18 EP disclosed
US-6015874-A CURING AGENT FOR HYDROPHILIC, TRANSPARENT, DURABLE POLYMERIC CONTACT OR INTRAOCULAR LENSES WHICH ALSO ABSORB ULTRA VIOLET RADIATION AND ARE OXYGEN PERMEABLE MENICON CO., LTD. (JP) 2000-01-18 US disclosed
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed