SCHEMBL9952147

SCHEMBL9952147

C=C(C)C(=O)OCCN(C)C.C=C(CC=C(CC)C(=O)O)C(=O)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
DNM1 Q05193 1/20 0.36
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAOA P21397 1/20 0.31
CNR1 P21554 1/20 0.31
DRD4 P21917 1/20 0.31
ACHE P22303 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL8470039 0.89 CHRM1 (0.38) TSHRDNM1ALDH1A1LMNACHRM2
SCHEMBL3185601 0.86 DNM1 (0.34) TSHRDNM1HPGDALDH1A1HCAR2
SCHEMBL9871522 0.84 DNM1 (0.38) TSHRDNM1APEX1THRBHPGD
SCHEMBL11137264 0.83 DNM1 (0.52) TSHRDNM1APEX1THRBLMNA
SCHEMBL227325 0.83 TSHR (0.57) TSHRDNM1POLBAPEX1HTT
SCHEMBL1704602 0.81 TSHR (0.66) TSHRDNM1POLBAPEX1HTT
SCHEMBL8424369 0.81 TSHR (0.66) TSHRDNM1POLBAPEX1HTT
SCHEMBL16178720 0.80 TSHR (0.41) TSHRAPEX1TDP1HPGDALDH1A1
SCHEMBL9640428 0.80 TSHR (0.44) TSHRDNM1APEX1THRBHCAR2
SCHEMBL11260774 0.80 TSHR (0.44) TSHRDNM1APEX1THRBHCAR2

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
EP-2654735-B1 RAPIDLY DISINTEGRATING, SOLID COATED DOSAGE FORM BASF SE (DE) 2016-04-13 EP disclosed
US-8715729-B2 Rapidly disintegrating, solid coated dosage form BASF SE (DE) 2014-05-06 US disclosed
EP-2654735-A2 RAPIDLY DISINTEGRATING, SOLID COATED DOSAGE FORM BASF SE (DE) 2013-10-30 EP disclosed
US-20120164223-A1 RAPIDLY DISINTEGRATING, SOLID COATED DOSAGE FORM BASF SE (DE) 2012-06-28 US disclosed
WO-2012085043-A2 RAPIDLY DISINTEGRATING, SOLID COATED DOSAGE FORM BASF SE (DE) 2012-06-28 WO disclosed