SCHEMBL7602849

SCHEMBL7602849

C=Cc1ccc(C(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)c4ccc(C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
CACNA1H O95180 4/20 0.47
CACNA1B Q00975 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
PRMT1 Q99873 1/20 0.43
F10 P00742 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7600768 0.88 F10 (0.48) CNR1CNR2CACNA1HCACNA1BALDH1A1
SCHEMBL7603821 0.88 MAPT (0.53) CNR1CNR2CACNA1HCACNA1BSMN1; SMN2
SCHEMBL7599610 0.84 CYP1A2 (0.46) CNR1CNR2CACNA1HCACNA1BALDH1A1
SCHEMBL7599617 0.83 KMT2A (0.39) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL7602530 0.83 GAA (0.59) ALDH1A1SMN1; SMN2NPSR1GAAMEN1
SCHEMBL7603048 0.83 CYP1A2 (0.53) CNR1CNR2CACNA1HCACNA1BALDH1A1
SCHEMBL7599792 0.83 SMN1; SMN2 (0.45) CNR1CNR2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7599796 0.82 TLR7 (0.42) SMN1; SMN2MAPTMEN1HPGDKMT2A
SCHEMBL7603054 0.82 KDM4E (0.40) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL7598425 0.82 KMT2A (0.45) ALDH1A1SMN1; SMN2GAAMAPTMEN1

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