SCHEMBL9509719

SCHEMBL9509719

CCCCOC(=O)c1nccc(C)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
TSHR P16473 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ESR1 P03372 4/20 0.44
MAPK1 P28482 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL28837901 0.85 LMNA (0.47) LMNATSHRL3MBTL1TDP1ESR1
SCHEMBL27684342 0.79 TSHR (0.46) LMNATSHRL3MBTL1TDP1ESR1
SCHEMBL9837598 0.77 KDM4E (0.45) TSHRL3MBTL1TDP1MAPK1SMN1; SMN2
SCHEMBL9308847 0.77 BRD4 (0.50) LMNATSHRL3MBTL1TDP1MAPK1
SCHEMBL30049082 0.75 KDM4E (0.50) LMNATSHRL3MBTL1TDP1MAPK1
SCHEMBL9684174 0.75 KDM4E (0.50) LMNATSHRL3MBTL1TDP1MAPK1
SCHEMBL301816 0.74 TSHR (0.64) LMNATSHRL3MBTL1TDP1ESR1
SCHEMBL27520124 0.74 ALDH1A1 (0.52) LMNATSHRL3MBTL1TDP1ESR1
SCHEMBL699240 0.74 LMNA (0.51) LMNATSHRL3MBTL1ESR1MAPK1
SCHEMBL1465393 0.74 BRD4 (0.47) LMNATSHRL3MBTL1ESR1CYP1A2

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
EP-0557375-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE Astra Aktiebolag (SE) 1993-09-01 EP disclosed
WO-1992008724-A1 NEW HETEROCYCLIC COMPOUNDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AKTIEBOLAGET ASTRA (SE) 1992-05-29 WO disclosed