SCHEMBL9067467

SCHEMBL9067467

CCCCOCCOC(C)=O.COCC(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.37
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
PLA2G2A P14555 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 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
SCHEMBL28070094 0.92 TSHR (0.46) ALDH1A1TSHRMAPTHSD17B10CYP3A4
Acetic Acid Butyl Ester SCHEMBL13684349 0.90 ALDH1A1 (0.67) ALDH1A1TSHRMAPTHSD17B10PGR
Acetic Acid Butyl Ester SCHEMBL1261472 0.87 ALDH1A1 (0.62) ALDH1A1TSHRMAPTHSD17B10PGR
Propylene Glycol SCHEMBL29060970 0.87 ALDH1A1 (0.57) ALDH1A1TSHRMAPTHSD17B10CYP3A4
SCHEMBL911219 0.86 ALDH1A1 (0.55) ALDH1A1TSHRMAPTHSD17B10CES2
SCHEMBL2098989 0.86 HSD17B10 (0.52) TSHRMAPTHSD17B10CYP3A4USP2
SCHEMBL21631737 0.86 HSD17B10 (0.52) TSHRMAPTHSD17B10CYP3A4USP2
SCHEMBL29065193 0.86 ALDH1A1 (0.59) ALDH1A1TSHRMAPTHSD17B10CYP3A4
Acetic Acid Pentyl Ester SCHEMBL27566856 0.85 ALDH1A1 (0.59) ALDH1A1TSHRMAPTHSD17B10CYP3A4
SCHEMBL6335761 0.84 ALDH1A1 (0.63) ALDH1A1TSHRMAPTHSD17B10CYP3A4

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
US-5545281-A FORMING METAL BUMPS ON SURFACE; COVERING WITH RADIATION CURABLE RESIN; PATTERNING; THERMOCOMPRESSION NEC CORPORATION (JP) 1996-08-13 US disclosed
EP-0544294-B1 Method of bonding circuit boards NEC CORP (JP) 1996-02-28 EP disclosed
US-5318651-A Applying light-sensitive adhesive, selectively exposing, removing portions, heat treating to impact bond, thermo compressing to form single circuit board NEC CORPORATION (JP) 1994-06-07 US disclosed
EP-0544294-A2 Method of bonding circuit boards NEC CORPORATION (JP) 1993-06-02 EP disclosed