SCHEMBL11020137

SCHEMBL11020137

O=C(OCCCCOC(=O)c1cccc(O)c1)c1cccc(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA6 P23280 1/20 0.57
CA9 Q16790 1/20 0.57
ESR1 P03372 2/20 0.56
ESR2 Q92731 1/20 0.56
TYR P14679 1/20 0.53
HDAC6 Q9UBN7 1/20 0.51
MAPK1 P28482 2/20 0.50
SERPINE1 P05121 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PARP1 P09874 1/20 0.50

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
SCHEMBL7773822 0.92 RAB9A (0.61) TDP1RAB9ANPC1CA12CA1
SCHEMBL29709386 0.92 ESR1 (0.59) TDP1RAB9ANPC1ESR1MAPK1
SCHEMBL4473542 0.92 ESR1 (0.59) TDP1RAB9ANPC1ESR1MAPK1
SCHEMBL1041460 0.91 ESR1 (0.61) RAB9ANPC1ESR1MAPK1ALDH1A1
SCHEMBL1041379 0.91 ESR1 (0.61) RAB9ANPC1ESR1MAPK1ALDH1A1
SCHEMBL1040814 0.91 ESR1 (0.61) RAB9ANPC1ESR1MAPK1ALDH1A1
SCHEMBL1038902 0.91 ESR1 (0.61) RAB9ANPC1ESR1MAPK1ALDH1A1
SCHEMBL1042359 0.91 ESR1 (0.61) RAB9ANPC1ESR1MAPK1ALDH1A1
SCHEMBL22497786 0.91 ESR1 (0.61) RAB9ANPC1ESR1MAPK1ALDH1A1
SCHEMBL1042192 0.91 ESR1 (0.61) RAB9ANPC1ESR1MAPK1ALDH1A1

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
EP-0148787-A2 Positive type photosensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1985-07-17 EP disclosed