SCHEMBL23926219

SCHEMBL23926219

CC(O)CCOC(=O)c1ccc(C(=O)OCCC(C)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
PKM P14618 2/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 3/20 0.52
ESR1 P03372 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A2 P23975 1/20 0.52
KDR P35968 1/20 0.52
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL27781154 0.93 MAPT (0.57) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL11707339 0.91 LMNA (0.62) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL10948801 0.89 LMNA (0.54) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL23926228 0.87 TDP1 (0.56) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL1953298 0.86 MAPK1 (0.73) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL2788014 0.83 MAPK1 (0.51) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL10948819 0.83 MAPT (0.54) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL23926201 0.81 TSHR (0.53) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL23855447 0.81 MAPT (0.60) MAPK1PKMHSD17B10TSHRESR1
SCHEMBL11674441 0.81 ALDH1A1 (0.61) MAPK1HSD17B10TSHRALDH1A1TDP1

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-11155675-B2 Method of regioselective synthesis of polyesters from asymmetric diols VERSALIS S.P.A. (IT) 2021-10-26 US disclosed
CN-109689727-B Process for the regioselective synthesis of polyesters from asymmetric diols 维尔萨利斯股份公司 2020-12-01 CN disclosed