SCHEMBL7267358

SCHEMBL7267358

C=CC(=O)OCCOc1ccc(-c2cccc3[nH]nnc23)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
FGFR4 P22455 4/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 6/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 5/20 0.32
NPSR1 Q6W5P4 5/20 0.32
MEN1 O00255 5/20 0.32
TP53 P04637 5/20 0.32
ALOX12 P18054 3/20 0.32

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
SCHEMBL553580 0.82 THRB (0.40) THRBGAAMAPTTP53ALDH1A1
SCHEMBL6851614 0.82 APP (0.39) THRBCA12CA1CA4CA6
SCHEMBL15766019 0.82 MAPT (0.41) KMT2AGAAMAPTNPSR1MEN1
SCHEMBL3668740 0.78 NR5A1 (0.45) RAB9ANPC1KMT2AGAAMAPT
SCHEMBL30848518 0.78 NR5A1 (0.45) RAB9ANPC1KMT2AGAAMAPT
SCHEMBL15765999 0.76 MAPT (0.38) NPC1KMT2AGAAMAPTNPSR1
SCHEMBL29286602 0.75 CA2 (0.37) KMT2AGAAMAPTNPSR1MEN1
SCHEMBL2777243 0.75 GAA (0.34) THRBKMT2AGAANPSR1MEN1
SCHEMBL6927665 0.73 THRB (0.62) THRBCA12CA1CA4CA6
SCHEMBL28889443 0.73 ELANE (0.38) KMT2AGAAMAPTNPSR1MEN1

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
US-20020042483-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-04-11 US claimed
US-6657032-B2 High refractive index and hydrophilic monomers, a crosslinker, an initiator and water BAUSCH & LOMB INCORPORATED 2003-12-02 US disclosed
US-20020042483-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-04-11 US disclosed