SCHEMBL11269815

SCHEMBL11269815

COc1ccc(OC/C=C(\C)C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.42
AOC3 Q16853 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
F2RL1 P55085 1/20 0.42
TCF4 P15884 1/20 0.41
CTNNB1 P35222 1/20 0.41
MAPT P10636 1/20 0.41
F3 P13726 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL11269821 1.00 PPARG (0.44) PPARGPPARDPPARAMTNR1AMTNR1B
SCHEMBL11262257 0.86 LTA4H (0.43) HTT
SCHEMBL11250596 0.86 MAOB (0.46) PPARGPPARDPPARAHTTMAOB
SCHEMBL11262254 0.86 LTA4H (0.43) HTT
SCHEMBL11250592 0.86 MAOB (0.46) PPARGPPARDPPARAHTTMAOB
SCHEMBL11253941 0.84 TDP1 (0.46) PPARDMTNR1AHTTMAOBNPC1
SCHEMBL11253943 0.84 TDP1 (0.46) PPARDMTNR1AHTTMAOBNPC1
SCHEMBL11294662 0.84 ALDH1A1 (0.46) PPARGPPARDPPARAMTNR1AMTNR1B
SCHEMBL11294658 0.84 ALDH1A1 (0.46) PPARGPPARDPPARAMTNR1AMTNR1B
SCHEMBL11259962 0.83 LMNA (0.51) MTNR1AMTNR1BMAOBNPC1RAB9A

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
US-4340765-A 4-Phenoxy-2-butene derivatives as plant growth regulators MALLINCKRODT BAKER, INC. 1982-07-20 US disclosed
EP-0046282-A2 4-Phenoxy-2-butene derivatives and their use as plant growth regulators J.T. Baker Chemical Co. (US) 1982-02-24 EP disclosed