SCHEMBL7601893

SCHEMBL7601893

C=Cc1cccc(CC(=O)Nc2ccccc2Oc2cccc(S(=O)(=O)c3cccc(Oc4ccccc4NC(=O)Cc4cccc(C=C)c4)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
PTGDR2 Q9Y5Y4 7/20 0.51
ALDH1A1 P00352 1/20 0.47
MTNR1B P49286 1/20 0.43
ADRA2C P18825 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 3/20 0.41
P2RX4 Q99571 2/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2C P28335 1/20 0.39
P2RX3 P56373 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
P2RX7 Q99572 1/20 0.39
ATM Q13315 1/20 0.39
KCNQ2 O43526 1/20 0.38
CA1 P00915 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
SCHEMBL7599812 0.91 GAA (0.56) GAAPTGDR2ALDH1A1MTNR1BADRA2C
SCHEMBL7599022 0.91 GAA (0.56) GAAPTGDR2ALDH1A1MTNR1BADRA2C
SCHEMBL7597944 0.83 GAA (0.47) GAAPTGDR2ALDH1A1MTNR1BADRA2C
SCHEMBL7601858 0.82 MAPT (0.49) PTGDR2ALDH1A1CYP2C9
SCHEMBL7602530 0.79 GAA (0.59) GAAALDH1A1ADRA2CL3MBTL1POLB
SCHEMBL7600768 0.79 F10 (0.48) GAAPTGDR2ALDH1A1L3MBTL1CYP2C9
SCHEMBL7597392 0.78 MEN1 (0.45) GAAALDH1A1L3MBTL1POLBCYP2C9
SCHEMBL7602651 0.76 GAA (0.52) GAAPTGDR2ALDH1A1ADRA2CL3MBTL1
SCHEMBL7601098 0.75 TDP1 (0.48) PTGDR2ALDH1A1MTNR1BL3MBTL1ATM
SCHEMBL7597396 0.75 PRMT1 (0.64) GAAALDH1A1POLBATMKCNQ2

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