SCHEMBL7603741

SCHEMBL7603741

C=C(C)C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(NC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2C19 P33261 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KMT2A Q03164 2/20 0.46
PLA2G7 Q13093 1/20 0.45

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
SCHEMBL7607384 0.91 PKM (0.59) PKMRXFP1CYP2C19MAPTALDH1A1
SCHEMBL7599277 0.86 TDP1 (0.52) MAPTALDH1A1POLBCA12CA1
SCHEMBL7598040 0.86 MTNR1B (0.51) CA12CA1CA2CA9PLA2G7
SCHEMBL3193608 0.86 PKM (0.46) PKMRXFP1CYP2C19MAPTALDH1A1
SCHEMBL3191949 0.85 PKM (0.44) PKMRXFP1CYP2C19MAPTALDH1A1
SCHEMBL3200420 0.85 PKM (0.44) PKMRXFP1CYP2C19MAPTALDH1A1
SCHEMBL9815431 0.84 PKM (0.70) PKMCYP2C19MAPTALDH1A1MMP2
SCHEMBL10536063 0.84 PKM (0.70) PKMCYP2C19MAPTALDH1A1MMP2
SCHEMBL23966424 0.83 RXFP1 (0.54) RXFP1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL3194415 0.83 RXFP1 (0.54) RXFP1MAPTALDH1A1CA12CA1

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