SCHEMBL6597173

SCHEMBL6597173

CCCCC([CH]c1ccccc1)CCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTA4H P09960 2/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.35
CTSK P43235 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
HDAC3 O15379 1/20 0.34
CNR1 P21554 1/20 0.34
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL27901751 0.94 LMNA (0.40) LMNATDP1LTA4HCNR2ALDH1A1
SCHEMBL11410075 0.89 TSHR (0.45) LMNATDP1TSHRSMN1; SMN2LTA4H
SCHEMBL27293430 0.84 LMNA (0.34) LMNASMN1; SMN2PPARGPPARA
SCHEMBL489041 0.81 HDAC3 (0.41) LMNATSHREGFRHDAC3
SCHEMBL10497298 0.77 LMNA (0.45) LMNATDP1TSHRCNR2POLB
SCHEMBL4299524 0.77 EGFR (0.41) LMNATDP1SMN1; SMN2CNR2EGFR
SCHEMBL236417 0.75 EGFR (0.43) LMNATDP1SMN1; SMN2ALDH1A1EGFR
SCHEMBL10703015 0.75 EGFR (0.43) LMNATDP1SMN1; SMN2ALDH1A1EGFR
SCHEMBL4612716 0.75 EGFR (0.43) LMNATDP1SMN1; SMN2ALDH1A1EGFR
SCHEMBL2332472 0.74 LMNA (0.39) LMNATSHRALDH1A1

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-1414444-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2004-05-06 EP disclosed
WO-2003011288-A1 NOVEL IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VLA-4 ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-13 WO disclosed