SCHEMBL23926231

SCHEMBL23926231

CCCC(O)COC(=O)c1ccc(C(=O)OCC(O)CCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.54
ADRB1 P08588 16/20 0.54
ADRB3 P13945 16/20 0.54
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ESR1 P03372 1/20 0.49
CHRM1 P11229 1/20 0.49
TSHR P16473 1/20 0.49
SLC6A2 P23975 1/20 0.49
KDR P35968 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL27754247 0.93 ADRB2 (0.64) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL7529418 0.93 MAPT (0.62) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL4955980 0.91 ALDH1A1 (0.64) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL23926216 0.89 ALDH1A1 (0.57) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL8062472 0.86 ALDH1A1 (0.53) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL8062468 0.86 ALDH1A1 (0.53) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL5402453 0.85 ADRB2 (0.59) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL31307131 0.84 MAPT (0.59) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL28545644 0.84 TSHR (0.56) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL21381469 0.82 TSHR (0.61) ADRB2ADRB1ADRB3ALDH1A1LMNA

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