SCHEMBL9546035

SCHEMBL9546035

C=C(CC)C(=O)OCCN(CC)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
PRCP P42785 1/20 0.43
CYP2D6 P10635 3/20 0.42
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
MAOA P21397 1/20 0.42
HTR3A P46098 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 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
SCHEMBL1127609 0.89 PRCP (0.41) SIGMAR1PRCPCYP2D6LMNACYP1A2
SCHEMBL10457624 0.87 PRCP (0.42) SIGMAR1PRCPCYP2D6LMNACYP1A2
SCHEMBL11249504 0.84 SIGMAR1 (0.43) SIGMAR1PRCPCYP2D6LMNACYP1A2
SCHEMBL25380908 0.83 LMNA (0.50) SIGMAR1CYP2D6LMNACYP1A2TSHR
SCHEMBL5139768 0.83 THRB (0.45) SIGMAR1PRCPCYP2D6LMNACYP1A2
SCHEMBL1733667 0.82 CHRM2 (0.50) SIGMAR1LMNACYP1A2TSHRMAOA
SCHEMBL28273630 0.82 THRB (0.55) SIGMAR1CYP2D6LMNACYP1A2TSHR
SCHEMBL14874 0.82 THRB (0.55) SIGMAR1CYP2D6LMNACYP1A2TSHR
SCHEMBL10764640 0.82 SIGMAR1 (0.43) SIGMAR1PRCPCYP2D6LMNACYP1A2
SCHEMBL9578316 0.82 TSHR (0.42) SIGMAR1PRCPCYP2D6LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115698265-A Method and apparatus for separating microvesicles 高丽大学校算学协力团 2023-02-03 CN disclosed
WO-1993023773-A1 PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL CIBA-GEIGY AG (CH) 1993-11-25 WO disclosed
US-5235013-A Copolymerizing an alkene of 6-10 carbons having one double bond and a side chain methyl group and an acrylic or fluoroacrylic ester CIBA-GEIGY CORPORATION 1993-08-10 US disclosed
EP-0478261-A2 Process for producing oxygen-permeable polymer CIBA-GEIGY AG (CH) 1992-04-01 EP disclosed