SCHEMBL7598425

SCHEMBL7598425

C=Cc1ccc(C(=O)Nc2c(OC)cccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(OC)c4NC(=O)c4ccc(C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 5/20 0.41
F10 P00742 2/20 0.40
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
KLK7 P49862 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 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
SCHEMBL7603054 0.89 KDM4E (0.40) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL7599617 0.88 KMT2A (0.39) KMT2AMEN1RAB9AALDH1A1HSD17B10
SCHEMBL7599796 0.87 TLR7 (0.42) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL7602849 0.82 CNR1 (0.50) KMT2AMEN1ALDH1A1F10SMN1; SMN2
SCHEMBL7600512 0.82 PDE4D (0.40) KMT2AMEN1RAB9AALDH1A1F10
SCHEMBL7598422 0.74 ALDH1A1 (0.48) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7603821 0.73 MAPT (0.53) KMT2AMEN1F10SMN1; SMN2MAPT
SCHEMBL7600768 0.73 F10 (0.48) ALDH1A1F10SMN1; SMN2LMNAMAPT
SCHEMBL8437461 0.69 GFER (0.58) ALDH1A1HSD17B10PKMLMNAMAPT
SCHEMBL7602530 0.69 GAA (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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