SCHEMBL9150470

SCHEMBL9150470

OCCCC(O)c1cc(O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
TYR P14679 4/20 0.37
LMNA P02545 2/20 0.35
NR1I2 O75469 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 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
SCHEMBL2805269 0.93 ADRA2A (0.36) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL9150253 0.82 CYP3A4 (0.42) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL2801986 0.81 TYR (0.36) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL11158917 0.80 TYR (0.49) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL7150196 0.78 TAAR1 (0.54) ADRA2AADRA2BADRA2CLMNAALOX15
SCHEMBL2987382 0.76 ADRA2A (0.43) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL2978320 0.75 DPP4 (0.44) ADRA2AADRA2BADRA2CLMNAALOX15
Monoethanolamine SCHEMBL11396682 0.73 ADRA2A (0.38) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL302560 0.72 TYR (0.44) ADRA2AADRA2BADRA2CTYRLMNA
SCHEMBL31392616 0.72 ADRA2A (0.47) ADRA2AADRA2BADRA2CLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389286-A Form films with good strength and mechanical integrity, can be blended with polyesters for fibers UNIVERSITY OF MASSACHUSETTS AT AMHERST (US) 1995-02-14 US disclosed
WO-1994009194-A1 LIQUID CRYSTAL COPOLYMER CONTAINING ALKOXY-SUBSTITUTED PARA-PHENYLENE TEREPHTHALATE GROUPS UNIVERSITY OF MASSACHUSETTS AT AMHERST (US) 1994-04-28 WO disclosed