SCHEMBL8999934

SCHEMBL8999934

Oc1ccc(Oc2ccc(O)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.41
▸ HSD17B3 P37058 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ APP P05067 1/20 0.38
▸ AR P10275 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36

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
SCHEMBL10357217 0.85 KIF11 (0.40) KIF11HSD17B3ALDH1A1HTTNR1I2
SCHEMBL11142828 0.83 ALDH1A1 (0.53) KIF11ALDH1A1HTTNR1I2LMNA
SCHEMBL30102540 0.83 ALDH1A1 (0.53) KIF11ALDH1A1HTTNR1I2LMNA
SCHEMBL3192593 0.82 KIF11 (0.38) KIF11HSD17B3ALDH1A1HTTNR1I2
SCHEMBL10357522 0.82 KIF11 (0.38) KIF11HSD17B3ALDH1A1HTTNR1I2
SCHEMBL27090249 0.80 ESR1 (0.50) ALDH1A1HTTLMNAARGAA
SCHEMBL8405886 0.79 RXRA (0.54) CYP2C9ARRXRARXRBRXRG
SCHEMBL24436810 0.77 KDM4E (0.46) HSD17B3ALDH1A1HSD17B10GAARXRA
SCHEMBL3022860 0.77 KIF11 (0.52) KIF11HSD17B3ALDH1A1HTTNR1I2
SCHEMBL30368360 0.77 KIF11 (0.52) KIF11HSD17B3ALDH1A1HTTNR1I2

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-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 — — US disclosed
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