SCHEMBL7794874

SCHEMBL7794874

COc1c(C2CCCCC2)cc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
TNFRSF1A P19438 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
KMO O15229 1/20 0.39
TPMT P51580 4/20 0.38
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
PKM P14618 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL7796616 0.83 KMT2A (0.47) KMT2APTGDR2KMOTPMTTDP1
SCHEMBL7796610 0.83 GLRA3 (0.44) KMT2ATNFRSF1AKMORARARARB
SCHEMBL7944907 0.81 THRB (0.38) KMT2ATNFRSF1APTGDR2TDP1KCNH2
SCHEMBL7796140 0.81 PTGDR2 (0.42) KMT2APTGDR2KMOTPMTTDP1
SCHEMBL7786559 0.80 THRB (0.46) PTGDR2TDP1
SCHEMBL3637333 0.80 TNFRSF1A (0.56) TNFRSF1ATPMTRARARARBRARG
SCHEMBL7794935 0.78 THRA (0.46) KMT2APTGDR2
SCHEMBL10323546 0.76 KMT2A (0.40) KMT2APTGDR2KMOTPMTPOLB
SCHEMBL7792403 0.74 TNFRSF1A (0.48) TNFRSF1ATPMTRARARARBRARG
SCHEMBL6567759 0.74 ALDH1A1 (0.36) KMT2APTGDR2TDP1POLBCA1

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