SCHEMBL4451075

SCHEMBL4451075

Oc1ccc(-c2ccc(O)c(F)c2F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 1/20 0.34
PIM1 P11309 1/20 0.33
HSD17B14 Q9BPX1 2/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA1B P35368 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL29006506 0.87 AMY1A (0.41) ARESR1ESR2HSD17B14ADRA2A
SCHEMBL5949232 0.87 AR (0.40) ARESR1ESR2CYP17A1CYP11B1
SCHEMBL29987655 0.87 PIM1 (0.41) ARESR1ESR2NPC1PIM1
SCHEMBL1512796 0.87 PIM1 (0.41) ARESR1ESR2NPC1PIM1
SCHEMBL12196477 0.85 AR (0.42) ARESR1ESR2CYP17A1CYP11B1
SCHEMBL4744474 0.84 AR (0.41) ARESR1ESR2CYP17A1CYP11B1
SCHEMBL25420346 0.83 NPC1 (0.46) ARESR1ESR2NPC1
SCHEMBL1759522 0.83 KDM4E (0.50) ARNPC1CA9
SCHEMBL20079320 0.83 AR (0.38) ARESR1ESR2CYP17A1CYP11B1
SCHEMBL16852459 0.83 CES2 (0.39) ARCYP17A1CYP11B1CYP11B2HSD17B14

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
WO-2015115589-A1 HALOGEN ATOM-SUBSTITUTED POLYMERIZABLE COMPOUND 日産化学工業株式会社 2015-08-06 WO disclosed
US-7629056-B2 SUPERIOR LOW-TEMPERATURE RAPID CURABILITY AND ALSO HAVING A LONG POT LIFE HITACHI CHEMICAL COMPANY, LTD. (JP) 2009-12-08 US disclosed
US-5702642-A ACRYLIC ESTER POLYMERS; BRIGHTNESS IN ABSENCE OF ELECTRIC VOLTAGE SHARP KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5645760-A Polymeric compounds, and liquid crystal element using the same SHARP KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed