SCHEMBL5598628

SCHEMBL5598628

[CH2]C(CCc1ccccc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP1 Q9NZ08 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
SCHEMBL10902130 0.80 MMP12 (0.42) TSHRPOLBANPEPERAP1
SCHEMBL3630971 0.80 TAAR1 (0.43) PPARGPPARATP53L3MBTL1
SCHEMBL5962154 0.80 PPARG (0.44) PPARGPPARASMN1; SMN2TSHRTP53
SCHEMBL17929078 0.78 SMN1; SMN2 (0.46) PPARGPPARASMN1; SMN2TSHRLMNA
SCHEMBL19511533 0.77 PPARG (0.49) PPARGPPARASMN1; SMN2TSHRLMNA
SCHEMBL2077054 0.77 SMN1; SMN2 (0.36) SMN1; SMN2TSHRTP53POLBANPEP
SCHEMBL1203568 0.76 METAP2 (0.45) PPARGPPARASMN1; SMN2L3MBTL1ANPEP
SCHEMBL8780020 0.75 PPARG (0.46) PPARG
SCHEMBL28011578 0.74 PPARG (0.45) PPARGPPARAANPEPERAP1
SCHEMBL20607556 0.74 PPARG (0.40) PPARGPPARASMN1; SMN2TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205348-B2 Rubber composition and method of making same UNIROYAL CHEMICAL COMPANY, INC. (US) 2007-04-17 US disclosed
EP-1252228-B1 RUBBER COMPOSITION AND METHOD OF MAKING SAME UNIROYAL CHEM CO INC (US) 2006-07-05 EP disclosed
US-20040192852-A1 Rubber composition and method of making same ADDIVANT USA, LLC 2004-09-30 US disclosed
EP-1252228-A1 RUBBER COMPOSITION AND METHOD OF MAKING SAME Uniroyal Chemical Company, Inc. (US) 2002-10-30 EP disclosed
WO-2001036525-A1 RUBBER COMPOSITION AND METHOD OF MAKING SAME UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-05-25 WO disclosed