SCHEMBL11093028

SCHEMBL11093028

CCCCCCCCCCCCCCCCC=CNCCCCNCCC(C)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
OPRM1 P35372 1/20 0.39
PPARA Q07869 2/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.37
CNR1 P21554 1/20 0.35
MEN1 O00255 2/20 0.35
GMNN O75496 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL9099455 0.89 PPARA (0.47) FAAHTRPV1OPRM1PPARATSHR
SCHEMBL9099467 0.89 PPARA (0.47) FAAHTRPV1OPRM1PPARATSHR
SCHEMBL2241683 0.82 ALDH1A1 (0.56) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL12652021 0.82 ALDH1A1 (0.56) EPHX1ADH1BADH1CADH1AADH4
Hydrochloric Acid SCHEMBL6659299 0.81 ALDH1A1 (0.54) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL24916554 0.80 TSHR (0.59) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL14519035 0.80 TSHR (0.59) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL22798926 0.80 ADH1B (0.54) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL14519034 0.80 TSHR (0.59) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL29291022 0.80 ADH1B (0.54) EPHX1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448974-A Polyalkylene succinimide lubricant additives EDWIN COOPER, INC. (US) 1984-05-15 US disclosed