SCHEMBL9243719

SCHEMBL9243719

CCOC(=O)c1ccccc1C=C(C)c1ccc(OCC=C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK10 P53779 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 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
SCHEMBL9799811 0.81 HPGD (0.45) LMNAKDM4ETDP1HTTPPARD
SCHEMBL9240945 0.81 HPGD (0.45) LMNAKDM4ETDP1HTTPPARD
SCHEMBL9245384 0.81 HPGD (0.45) LMNAKDM4ETDP1HTTPPARD
SCHEMBL384028 0.80 CA12 (0.53) LMNATDP1L3MBTL1ALDH1A1MEN1
SCHEMBL9243610 0.79 TDP1 (0.46) SMN1; SMN2TDP1NPC1PPARDPPARA
SCHEMBL9799788 0.78 MAOB (0.46) LMNASMN1; SMN2KDM4ETDP1PPARD
SCHEMBL9800102 0.78 TDP1 (0.42) TSHRLMNASMN1; SMN2TDP1NPC1
SCHEMBL27471314 0.77 TSHR (0.65) TSHRMAPK10LMNAKDM4ETDP1
SCHEMBL9799846 0.76 L3MBTL1 (0.41) TSHRTDP1GAAPPARDPPARA
SCHEMBL8458466 0.74 PPARG (0.49) LMNATDP1PPARGL3MBTL1ALDH1A1

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-0410742-B1 Phenylethenyl compounds having retinoid-like activity ALLERGAN INC (US) 1995-06-14 EP disclosed
EP-0647248-A1 SURFACTANTS DERIVED FROM POLYOXYALKYLENES AND SUBSTITUTED SUCCINIC ANHYDRIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-12 EP disclosed
WO-1994000508-A1 SURFACTANTS DERIVED FROM POLYOXYALKYLENES AND SUBSTITUTED SUCCINIC ANHYDRIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-06 WO disclosed