SCHEMBL8082006

SCHEMBL8082006

O=C1OCc2c1cc1ccc3c(c1c2-c1ccc(C(F)(F)F)cc1)OCO3

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.51
TOP2A P11388 1/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ESRRB O95718 1/20 0.37
ESRRA P11474 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 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
SCHEMBL7655746 0.88 ALOX5 (0.54) ALOX5TOP2AMEN1KMT2A
SCHEMBL8084873 0.86 ALOX5 (0.64) ALOX5TOP2A
SCHEMBL7656932 0.85 ALOX5 (0.54) ALOX5TOP2A
SCHEMBL8080529 0.85 ALOX5 (0.54) ALOX5TOP2AMEN1ALDH1A1KMT2A
Helioxanthin SCHEMBL29623971 0.85 ALOX5 (0.70) ALOX5TOP2AMEN1ALDH1A1KMT2A
Helioxanthin SCHEMBL2960321 0.85 ALOX5 (0.70) ALOX5TOP2AMEN1ALDH1A1KMT2A
SCHEMBL7654491 0.83 ALOX5 (0.61) ALOX5TOP2A
SCHEMBL8080428 0.83 ALOX5 (0.53) ALOX5MEN1ALDH1A1KMT2AESRRB
SCHEMBL7656265 0.83 ALOX5 (0.60) ALOX5TOP2AMEN1ALDH1A1KMT2A
SCHEMBL8081605 0.81 PARP1 (0.48) ALOX5MEN1ALDH1A1KMT2A

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-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed