SCHEMBL11229962

SCHEMBL11229962

CCCCOC(C)CCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
DNM1 Q05193 3/20 0.37
OPRM1 P35372 1/20 0.35
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL11225085 0.92 OPRM1 (0.44) EPHX2ADRB2ADRB1ADRB3DNM1
SCHEMBL4270493 0.92 DNM1 (0.45) EPHX2DNM1OPRM1FAAHALDH1A1
SCHEMBL28109526 0.90 DNM1 (0.48) EPHX2DNM1OPRM1TSHRFAAH
SCHEMBL28109921 0.90 DNM1 (0.48) EPHX2DNM1OPRM1TSHRFAAH
SCHEMBL27658261 0.90 DNM1 (0.48) EPHX2DNM1OPRM1TSHRFAAH
SCHEMBL27471684 0.90 DNM1 (0.48) EPHX2DNM1OPRM1TSHRFAAH
SCHEMBL27675407 0.90 DNM1 (0.48) EPHX2DNM1OPRM1TSHRFAAH
SCHEMBL3153652 0.90 DNM1 (0.48) EPHX2DNM1OPRM1TSHRFAAH
SCHEMBL7454948 0.90 DNM1 (0.43) EPHX2DNM1OPRM1TSHRFAAH
SCHEMBL2759865 0.90 ADRB2 (0.38) EPHX2ADRB2ADRB1ADRB3DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108778349-A Spice composition 奇华顿股份有限公司 2018-11-09 CN disclosed
CN-101389404-B Method for separating and recovering dialkyl tin dialkoxide ASAHI CHEMICAL IND 2011-06-22 CN disclosed
CN-101389404-A Method for separating and recovering dialkyl tin dialkoxide ASAHI CHEMICAL CORP (JP) 2009-03-18 CN disclosed
US-4323712-A Etherification of olefinic hydrocarbons UOP INC. (US) 1982-04-06 US disclosed