SCHEMBL8746649

SCHEMBL8746649

O=C(O)C=Cc1cccc2c(O)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA4 P22748 1/20 0.67
PARP1 P09874 1/20 0.59
CTSL P07711 4/20 0.51
CAPN1 P07384 3/20 0.51
CTSB P07858 2/20 0.51
JUN P05412 1/20 0.48
NFE2L2 Q16236 1/20 0.48
IAPP P10997 3/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HTT P42858 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL8746630 0.90 PARP1 (0.69) NFKB1CA1CA2CA4PARP1
SCHEMBL11138672 0.90 PARP1 (0.69) NFKB1CA1CA2CA4PARP1
SCHEMBL16048249 0.89 CTSL (0.64) NFKB1CA1CA2CA4PARP1
SCHEMBL16048251 0.89 CTSL (0.64) NFKB1CA1CA2CA4PARP1
SCHEMBL8726893 0.82 NFKB1 (0.61) NFKB1CA1CA2CA4PARP1
SCHEMBL6852509 0.82 NFKB1 (0.61) NFKB1CA1CA2CA4PARP1
SCHEMBL3423096 0.82 CA1 (0.53) NFKB1CA1CA2CA4PARP1
SCHEMBL8746629 0.82 CA1 (0.53) NFKB1CA1CA2CA4PARP1
SCHEMBL307296 0.81 NFKB1 (0.71) NFKB1CA1CA2CA4PARP1
SCHEMBL31256670 0.81 NFKB1 (0.71) NFKB1CA1CA2CA4PARP1

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-0644232-B1 Free radical cured rubber GOODYEAR TIRE & RUBBER (US) 1997-03-05 EP disclosed
EP-0644232-A1 Free radical cured rubber THE GOODYEAR TIRE & RUBBER COMPANY (US) 1995-03-22 EP disclosed
US-5310811-A Abrasion resistance THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-05-10 US disclosed