SCHEMBL2123553

SCHEMBL2123553

C1=C(c2ccccc2-c2ccccc2)OCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.39
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
DPP4 P27487 1/20 0.32
BACE1 P56817 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
SCHEMBL9581317 0.73 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDCYP2A6MAPK1
SCHEMBL28995749 0.72 ALDH1A1 (0.58) GPR55ALDH1A1HSD17B10HPGDBCL2L1
Fluoride SCHEMBL27656103 0.72 ALDH1A1 (0.58) GPR55ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL20243067 0.71 FAAH (0.34) ALDH1A1HPGDMAPK1MAPTHTT
SCHEMBL18285261 0.71
SCHEMBL31618427 0.69 CYP2C19 (0.33)
SCHEMBL21447 0.69 ALDH1A1 (0.61) GPR55ALDH1A1HSD17B10HPGDBCL2L1
Benzene SCHEMBL28035419 0.69 ALDH1A1 (0.61) GPR55ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL2361430 0.69 ALDH1A1 (0.61) GPR55ALDH1A1HSD17B10HPGDBCL2L1
Water SCHEMBL9138909 0.67 ALDH1A1 (0.58) GPR55ALDH1A1HSD17B10HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450388-B1 POLYLACTIC ACID RESIN, METHOD FOR PRODUCING POLYLACTIC ACID RESIN, POLYLACTIC ACID RESIN COMPOSITION, STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION, AND METHOD FOR PRODUCING STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION MITSUI CHEMICALS INC (JP) 2017-01-11 EP disclosed
EP-2450388-A1 POLYLACTIC ACID RESIN, METHOD FOR PRODUCING POLYLACTIC ACID RESIN, POLYLACTIC ACID RESIN COMPOSITION, STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION, AND METHOD FOR PRODUCING STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2012-05-09 EP disclosed
US-20120095169-A1 POLYLACTIC ACID-BASED RESIN, PROCESS FOR PRODUCING POLYLACTIC ACID-BASED RESIN, POLYLACTIC ACID RESIN COMPOSITION, STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION AND PROCESS FOR PRODUCING STEREOCOMPLEX POLYLACTIC ACID RESIN COMPOSITION MITSUI CHEMICALS, INC. (JP) 2012-04-19 US disclosed