SCHEMBL4337394

SCHEMBL4337394

CC(C)COc1ccccc1C(=O)OC(=O)OC(=O)c1ccccc1OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.48
ABCB1 P08183 4/20 0.47
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
KDM4E B2RXH2 2/20 0.41
DHODH Q02127 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7926507 0.89 ALDH1A1 (0.51) ALDH1A1TSHRHTTABCB1ADRB2
SCHEMBL4335276 0.89 ALDH1A1 (0.45) ALDH1A1TSHRHTTABCB1KDM4E
SCHEMBL385218 0.85 ALDH1A1 (0.54) ALDH1A1TSHRHTTLMNASMN1; SMN2
SCHEMBL28020498 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHTTABCB1ADRB2
SCHEMBL25063217 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHTTABCB1ADRB2
SCHEMBL24074185 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHTTABCB1ADRB2
SCHEMBL28020074 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHTTABCB1ADRB2
SCHEMBL5835155 0.83 ALDH1A1 (0.49) ALDH1A1TSHRHTTABCB1ADRB2
SCHEMBL28020536 0.83 TSHR (0.61) ALDH1A1TSHRHTTABCB1ADRB2
SCHEMBL27842193 0.82 ABCB1 (0.66) ALDH1A1TSHRHTTABCB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247734-B1 PREPARATION OF HIGHLY HEAT-RESISTANT (EO)POIYCARBONATES BY THE TRANSESTERIFICATION METHOD COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-08-31 EP disclosed
US-10370491-B2 Preparation of highly heat-resistant (co)polycarbonates by the transesterification method COVESTRO DEUTSCHLAND AG (DE) 2019-08-06 US disclosed
US-20170369642-A1 Preparation of Highly Heat-Resistant (Co)Polycarbonates by the Transesterification Method COVESTRO DEUTSCHLAND AG (DE) 2017-12-28 US disclosed
EP-3247734-A1 PREPARATION OF HIGHLY HEAT-RESISTANT (EO)POIYCARBONATES BY THE TRANSESTERIFICATION METHOD Covestro Deutschland AG (DE) 2017-11-29 EP disclosed
WO-2016116480-A1 PREPARATION OF HIGHLY HEAT-RESISTANT (EO)POIYCARBONATES BY THE TRANSESTERIFICATION METHOD COVESTRO DEUTSCHLAND AG (DE) 2016-07-28 WO disclosed
US-20090117314-A1 PROCESS FOR THE PREPARATION OF POLYCARBONATE BY THE MELT TRANSESTERIFICATION METHOD BAYER MATERIALSCIENCE AG (DE) 2009-05-07 US disclosed