SCHEMBL8907667

SCHEMBL8907667

CC(=O)CC(O)CCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.41
▸ CHRM5 P08912 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CHRNA10 Q9GZZ6 1/20 0.40
▸ CHRNA9 Q9UGM1 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GALR3 O60755 2/20 0.39

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
SCHEMBL15875781 0.86 ALOX15 (0.48) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL11201373 0.82 SLC22A6 (0.44) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL31469845 0.80 THRB (0.47) ALDH1A1TSHRTDP1
SCHEMBL7700789 0.80 ALOX15 (0.44) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL7759802 0.80 ALDH1A1 (0.45) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL5988620 0.80 ALOX15 (0.44) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL1054275 0.80 ALDH1A1 (0.48) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL14700477 0.78 ALOX15 (0.43) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL10982034 0.78 ALOX15 (0.43) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL7166620 0.78 ALDH1A1 (0.52) ALOX15ALDH1A1CHRM5CHRM1CHRM3

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
US-5616615-A ANTICONVULSANTS HOWARD UNIVERSITY (US) 1997-04-01 — — US disclosed
US-5468775-A Anticonvulsants HOWARD UNIVERSITY (US) 1995-11-21 — — US disclosed
WO-1993017678-A1 ENAMINONE ESTERS HOWARD UNIVERSITY (US) 1993-09-16 — — WO disclosed
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