SCHEMBL5169734

SCHEMBL5169734

CCOCCOC(C)=O.COCCOC(C)=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.83
TSHR P16473 3/20 0.83
THRB P10828 1/20 0.53
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 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
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40

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
SCHEMBL10561413 0.98 ALDH1A1 (0.79) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL9633470 0.98 ALDH1A1 (0.79) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL28991976 0.98 ALDH1A1 (0.79) ALDH1A1TSHRTHRBLMNAHSD17B10
Ether SCHEMBL10623499 0.94 ALDH1A1 (0.72) ALDH1A1TSHRTHRBLMNAHSD17B10
Ether SCHEMBL9639111 0.93 ALDH1A1 (0.71) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL24056 0.91
SCHEMBL8518918 0.91 ALDH1A1 (1.00) ALDH1A1TSHRTHRBLMNAHSD17B10
Propene SCHEMBL19714335 0.91 ALDH1A1 (0.68) ALDH1A1TSHRTHRBLMNAHSD17B10
Diethylene Glycol Monoethyl Ether SCHEMBL29037448 0.91 ALDH1A1 (0.68) ALDH1A1TSHRTHRBLMNAHSD17B10
Diethylene Glycol Monoethyl Ether SCHEMBL28082957 0.91 ALDH1A1 (0.68) ALDH1A1TSHRTHRBLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4197355-A Lacquer for refurbishing molded plastic bodies BELL TELEPHONE LABORATORIES, INCORPORATED (US) 1980-04-08 US claimed
EP-1070990-B1 Lithographic printing plate precursor and method of making lithographic printing plate FUJIFILM CORP (JP) 2007-04-25 EP disclosed
US-6927009-B2 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2005-08-09 US disclosed
US-20030077540-A1 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. 2003-04-24 US disclosed
EP-1070990-A1 Photosensitive composition and method of making lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2001-01-24 EP disclosed
US-4806419-A HEAT RESISTANCE, IMPACT STRENGTH THE BOOTS COMPANY PLC (GB) 1989-02-21 US disclosed
EP-0177841-A1 Process for production of olefin polymers MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1986-04-16 EP disclosed
EP-0097815-A2 Photocurable adhesive and circuit board employing same International Business Machines Corporation (US) 1984-01-11 EP disclosed