SCHEMBL9497399

SCHEMBL9497399

C=CC[C@@H](CC[C@H](CC=C)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ALOX15 P16050 1/20 0.36
AGXT P21549 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL9577155 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL1776277 0.92 SMN1; SMN2 (0.43) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL15602691 0.91 SMN1; SMN2 (0.38) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL2108618 0.89 RCE1 (0.46) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL10288428 0.87 SMN1; SMN2 (0.36) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL16177752 0.87 BCHE (0.39) SMN1; SMN2TSHRTDP1RCE1L3MBTL1
SCHEMBL9685360 0.86 MAPT (0.39) TDP1L3MBTL1BCHE
SCHEMBL17006171 0.86 LTA4H (0.38) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL16370105 0.86 SLC1A3 (0.39) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL22490406 0.86 MEN1 (0.40) SMN1; SMN2TSHRSLC1A3SLC1A2SLC1A1

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-5266703-A Optically active isoxazole derivatives DAISO CO., LTD. (JP) 1993-11-30 US disclosed
US-5220074-A Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same DAISO CO., LTD. (JP) 1993-06-15 US disclosed
US-5210201-A Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same DAISO CO., LTD. (JP) 1993-05-11 US disclosed
US-5198588-A OPTICALLY ACTIVE ISOXAZOLE DERIVATIVES AND INTERMEDIATES FOR PREPARATION THEREOF DAISO CO., LTD. (JP) 1993-03-30 US disclosed
EP-0439129-A2 Optically active isoxazole derivatives and intermediates for preparation thereof as well as processes for producing the same Daiso Co., Ltd. (JP) 1991-07-31 EP disclosed