SCHEMBL9237208

SCHEMBL9237208

CCCn1c(OC(=O)OCC)cc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR2 P41597 6/20 0.41
ALDH1A1 P00352 3/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9242423 0.93 PSEN1 (0.45) TDP1LMNAL3MBTL1CCR2ALDH1A1
SCHEMBL9239665 0.90 TDP1 (0.48) TDP1LMNAL3MBTL1CCR2ALDH1A1
SCHEMBL9237671 0.86 LMNA (0.50) TDP1LMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL9241443 0.86 CCR2 (0.45) TDP1LMNAL3MBTL1CCR2TP53
SCHEMBL9242465 0.82 TDP1 (0.45) TDP1LMNAL3MBTL1CCR2ALDH1A1
SCHEMBL2484224 0.82 LMNA (0.52) TDP1LMNAL3MBTL1CCR2ALDH1A1
SCHEMBL6172815 0.81 KMT2A (0.49) LMNACCR2ALDH1A1TP53MAPT
SCHEMBL9239997 0.80 TDP1 (0.42) TDP1LMNAL3MBTL1CCR2ALDH1A1
SCHEMBL8688921 0.80 KDM4E (0.52) TDP1LMNAL3MBTL1CCR2ALDH1A1
SCHEMBL9239380 0.79 CCR2 (0.44) TDP1CCR2ALDH1A1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639573-A1 Benzocondensed five membered heterocycles, process of their preparation, their use as drug, as diagnostic means and pharmaceuticals containing it HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-22 EP disclosed