SCHEMBL7796616

SCHEMBL7796616

COc1c(C)cc(C(=O)O)cc1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.41
KMO O15229 1/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
TPMT P51580 4/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ACMSD Q8TDX5 1/20 0.37

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
SCHEMBL7796140 0.83 PTGDR2 (0.42) KMT2APTGDR2KMOTPMTTDP1
SCHEMBL7794874 0.83 KMT2A (0.42) KMT2APTGDR2KMOTPMTPDE4A
SCHEMBL7942538 0.80 THRB (0.39) KMT2APTGDR2ALDH1A1PKMTDP1
SCHEMBL3825748 0.80 KDM4E (0.44) KMT2APTGDR2KMOTPMTS1PR1
SCHEMBL7792920 0.79 THRB (0.49) PTGDR2CNR1CNR2S1PR1ALDH1A1
SCHEMBL10323546 0.78 KMT2A (0.40) KMT2APTGDR2KMOTPMTPKM
SCHEMBL7795938 0.77 THRA (0.51) KMT2APTGDR2CNR1CNR2S1PR1
SCHEMBL312132 0.77 TPMT (0.55) KMT2ACNR2TPMTALDH1A1PKM
SCHEMBL10322191 0.76 KMT2A (0.39) KMT2APTGDR2TPMTALDH1A1PKM
SCHEMBL4951622 0.75 KMO (0.57) KMT2APTGDR2KMOS1PR1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed