SCHEMBL23926202

SCHEMBL23926202

CCCC(O)CCCOC(=O)c1ccc(C(=O)OCCCC(O)CCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ESR1 P03372 4/20 0.58
TSHR P16473 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 2/20 0.58
MAPK1 P28482 1/20 0.58
NR1H2 P55055 1/20 0.58
RNASEL Q05823 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 1/20 0.57
PDE4D Q08499 1/20 0.57
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL23926236 0.95 TSHR (0.57) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL23926217 0.93 LMNA (0.63) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL15178132 0.92 LMNA (0.63) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL28545644 0.90 TSHR (0.56) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL23926233 0.89 TSHR (0.61) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL23926203 0.88 LMNA (0.56) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL23926207 0.87 LMNA (0.58) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL13504627 0.86 LMNA (0.63) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL26112323 0.85 TDP1 (0.50) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL8539333 0.84 LMNA (0.61) LMNAESR1TSHRCYP1A2CYP2C19

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