SCHEMBL9052846

SCHEMBL9052846

CCCCOCCOC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
RARB P10826 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
PLA2G4B P0C869 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
CNR2 P34972 1/20 0.48
ESR1 P03372 3/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NR1H2 P55055 1/20 0.48

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
SCHEMBL17698434 1.00 LMNA (0.51) LMNARARBTDP1SMN1; SMN2CYP1A2
SCHEMBL17798305 0.94 L3MBTL1 (0.54) LMNATDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL809488 0.94 L3MBTL1 (0.54) LMNATDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2805663 0.91 TDP1 (0.61) LMNATDP1SMN1; SMN2CYP1A2CYP2C19
Water SCHEMBL27595190 0.90 TDP1 (0.59) LMNATDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL27976076 0.90 TDP1 (0.59) LMNATDP1SMN1; SMN2CYP1A2CYP2C19
Isophthalic Acid SCHEMBL21683231 0.89 KMT2A (0.58) RARBPLA2G4BKMT2ANR1H4TSHR
Terephthalic Acid SCHEMBL7712252 0.88 ESR1 (0.58) LMNATDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL28648742 0.88 TDP1 (0.61) LMNATDP1NPC1RAB9ACNR2
Ethylene Glycol SCHEMBL28159240 0.87 TDP1 (0.56) LMNATDP1SMN1; SMN2CYP1A2CYP2C19

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
CN-112119131-B Machine readable security feature 锡克拜控股有限公司 2023-03-10 CN disclosed
WO-1996008351-A1 ELASTOMERIC ARTICLES ANSELL PERRY INC. (US) 1996-03-21 WO disclosed