SCHEMBL9638423

SCHEMBL9638423

C=C(C(=O)F)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 3/20 0.35
EPHX1 P07099 6/20 0.34
RECQL P46063 1/20 0.34
SRD5A2 P31213 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HSD11B2 P80365 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 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
SCHEMBL761934 0.79 CES2 (0.52) CES2CES1HDAC8HDAC6TSHR
SCHEMBL10956943 0.78 CES2 (0.47) CES2CES1HDAC8HDAC6TSHR
SCHEMBL642121 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL979551 0.77 CES2 (0.65) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1122749 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4599659 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL221713 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL791540 0.77 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL21573965 0.76 TSHR (0.50) TSHREPHX1CYP3A4
SCHEMBL3114031 0.75 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9599758-B2 Optical reflective film and optical reflector using the same Konica Minolta, Inc. (JP) 2017-03-21 US disclosed
US-20150285974-A1 OPTICAL REFLECTIVE FILM AND OPTICAL REFLECTOR USING THE SAME Konica Minolta, Inc. (JP) 2015-10-08 US disclosed
EP-0128517-B1 OPTICAL MATERIAL DAIKIN INDUSTRIES, LIMITED (JP) 1992-09-02 EP disclosed
US-4615584-A A-FLUOROACRYLATE HOMOPOLYMER CORE DAIKIN KOGYO CO., LTD. (JP) 1986-10-07 US disclosed
EP-0128517-A2 Optical material DAIKIN INDUSTRIES, LIMITED (JP) 1984-12-19 EP disclosed