SCHEMBL20515482

SCHEMBL20515482

O=C(OCCOc1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.63
RAB9A P51151 5/20 0.62
MAPT P10636 2/20 0.62
NPC1 O15118 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HSD17B10 Q99714 1/20 0.61
PKM P14618 1/20 0.59
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.57
MMP1 P03956 1/20 0.56
MMP12 P39900 1/20 0.56
PARP10 Q53GL7 1/20 0.56

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
SCHEMBL2853034 0.98 TDP1 (0.66) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3434351 0.94 RAB9A (0.69) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22146533 0.94 TDP1 (0.66) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22832407 0.93 TDP1 (0.59) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL12971078 0.93 TDP1 (0.59) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL11323600 0.89 PKM (0.77) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3434885 0.89 RAB9A (0.58) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28286830 0.88 TDP1 (0.79) TDP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15649870 0.88 GAA (0.68) TDP1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL160688 0.88 ESR1 (0.69) TDP1RAB9AMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668130-B2 Formulation for targeting cancer in humans and canines using chlorotoxin RAMANA VIVEKANANDA (US) 2020-06-02 US disclosed
US-10668113-B2 Formulation for targeting cancer in humans and canines using venom RAMANA VIVEKANANDA (US) 2020-06-02 US disclosed
US-20180280473-A1 FORMULATION FOR TARGETING CANCER IN HUMANS AND CANINES USING CHLOROTOXIN RAMANA VIVEKANANDA (US) 2018-10-04 US disclosed
US-20180280449-A1 FORMULATION FOR TARGETING CANCER IN HUMANS AND CANINES USING VENOM RAMANA VIVEKANANDA (US) 2018-10-04 US disclosed