SCHEMBL9764127

SCHEMBL9764127

COc1cc(C(c2cc(OC)c(O)c(OC)c2)(C(F)(F)F)C(F)(F)F)cc(OC)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL5348440 0.83 LMNA (0.44) PKMCA12CA1CA2CA3
SCHEMBL19421990 0.83 PDE4A (0.40) PKMCA12CA1CA2CA3
SCHEMBL6950375 0.79 MAOB (0.52) CA2KMT2AESR1ESR2HPGD
SCHEMBL10028316 0.76 LMNA (0.48) PKMCA12CA1CA2CA3
SCHEMBL2230896 0.76 LMNA (0.48) PKMCA12CA1CA2CA3
SCHEMBL24928749 0.75 ALDH1A1 (0.49) CA1CA2LMNAGAAMAPT
Methane SCHEMBL20485779 0.74 LMNA (0.47) PKMCA12CA1CA2CA3
SCHEMBL31463095 0.74 LMNA (0.47) PKMCA12CA1CA2CA3
SCHEMBL11308155 0.73 PGR (0.45) PKMCA12CA1CA2CA3
SCHEMBL247818 0.73 ESR1 (0.48) CA1CA2LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981897-A OPTICAL PROPERTIES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-01 US disclosed