SCHEMBL7601200

SCHEMBL7601200

C=C(C)C(=O)OCCc1ccc(C(=O)Nc2ccccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4NC(=O)c4ccc(CCOC(=O)C(=C)C)c(Cl)c4C=O)cc3)cc2)c(C=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PYGM P11217 6/20 0.35
PYGL P06737 6/20 0.35
CACNA1H O95180 2/20 0.34
POLB P06746 1/20 0.34
CACNA1B Q00975 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.33
SLC16A1 P53985 1/20 0.33

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
SCHEMBL7603516 0.91 CACNA1H (0.36) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7602221 0.91 PYGM (0.36) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7602722 0.90 RAB9A (0.39) TDP1ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL7601975 0.89 TDP1 (0.39) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7602542 0.83 MAPT (0.38) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8105309 0.82 SMN1; SMN2 (0.40) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7601939 0.81 TDP1 (0.38) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7607368 0.81 PYGM (0.37) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8105519 0.75 KMT2A (0.40) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7601959 0.75 PYGM (0.37) TDP1ALDH1A1MAPTRAB9AL3MBTL1

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