SCHEMBL8205685

SCHEMBL8205685

C=CCC1C=CC(=O)C=C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MDM2 Q00987 1/20 0.32
DHODH Q02127 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14137725 0.76
SCHEMBL18729710 0.71
SCHEMBL13021209 0.71 L3MBTL1 (0.31)
SCHEMBL8733766 0.71
SCHEMBL2361120 0.69
SCHEMBL11721399 0.67
SCHEMBL11104029 0.65 ALDH1A1 (0.46) ALDH1A1
SCHEMBL15480919 0.62
SCHEMBL1906686 0.62
SCHEMBL2444081 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799246-B1 IMPROVED MUTABLE COMPOSITION KIMBERLY CLARK CO (US) 2000-11-15 EP disclosed
EP-0173748-B1 PROCESS FOR PRODUCING SUBSTITUTED UNSATURATED SIX-MEMBERED RING COMPOUNDS FROM PHENOL DERIVATIVES HIRAI, Hidefumi (JP) 1990-01-03 EP disclosed
US-4663478-A Process for producing a para-substituted phenol derivative Hirai, Hidefuni 1987-05-05 US disclosed
EP-0173748-A1 PROCESS FOR PRODUCING SUBSTITUTED UNSATURATED SIX-MEMBERED RING COMPOUNDS FROM PHENOL DERIVATIVES HIRAI, Hidefumi (JP) 1986-03-12 EP disclosed
EP-0158709-A1 A process for producing a para-substituted phenol derivative Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-10-23 EP disclosed
US-4523031-A Process for producing a para-substituted phenol derivative ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-11 US disclosed
EP-0073837-A1 PROCESS FOR SELECTIVELY PRODUCING PARA-SUBSTITUTED DERIVATIVES OF PHENOLS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-03-16 EP disclosed
EP-0073837-A1 PROCESS FOR SELECTIVELY PRODUCING PARA-SUBSTITUTED DERIVATIVES OF PHENOLS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-03-16 EP disclosed