SCHEMBL18092129

SCHEMBL18092129

O=C(OCCCCCCCCCc1ccccc1)OCCCCCCCCCc1ccccc1.O=C(OCCCCCCCCc1ccccc1)OCCCCCCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
FFAR1 O14842 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
NAAA Q02083 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52

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
SCHEMBL1836828 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1839278 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1836021 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1840165 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL1836780 1.00 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL982156 0.98 LMNA (0.65) LMNAMAPTRXFP1SMN1; SMN2NPC1
Bicarbonate SCHEMBL27813133 0.96 LMNA (0.62) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL983638 0.92 LMNA (0.72) LMNAMAPTRXFP1SMN1; SMN2NPC1
SCHEMBL2018238 0.92 TSHR (0.57) LMNAMAPTRXFP1NAAAMAPK1
SCHEMBL2020804 0.92 LMNA (0.54) LMNAMAPTRXFP1FFAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2439191-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI CHEMICAL IND (JP) 2017-01-25 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed