SCHEMBL11718488

SCHEMBL11718488

C(OCC1CO1)C1CO1.C=C(C)C(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
THRB P10828 1/20 0.47
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
GLO1 Q04760 1/20 0.34

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
SCHEMBL6662709 0.92 ALDH1A1 (0.86) ALDH1A1THRBTP53CYP3A4SMN1; SMN2
Ethylene SCHEMBL20476767 0.90 ALDH1A1 (0.83) ALDH1A1THRBTP53CYP3A4TSHR
SCHEMBL27827895 0.90 ALDH1A1 (0.89) ALDH1A1THRBTP53CYP3A4SMN1; SMN2
SCHEMBL4855582 0.87 ALDH1A1 (0.72) ALDH1A1THRBTP53CYP3A4SMN1; SMN2
Ether SCHEMBL236565 0.87 ALDH1A1 (0.83) ALDH1A1THRBTP53CYP3A4SMN1; SMN2
Ethyl Acetate SCHEMBL11217041 0.85 ALDH1A1 (0.81) ALDH1A1THRBTP53CYP3A4TSHR
SCHEMBL670910 0.85 ALDH1A1 (0.74) ALDH1A1THRBTP53CYP3A4SMN1; SMN2
Ethylene SCHEMBL29388342 0.84 ALDH1A1 (0.73) ALDH1A1THRBTP53CYP3A4TSHR
Propane SCHEMBL11143722 0.84 ALDH1A1 (0.93) ALDH1A1THRBTP53CYP3A4SMN1; SMN2
SCHEMBL2048901 0.84 ALDH1A1 (1.00) ALDH1A1THRBTP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041017-A Reactive light-sensitive high polymer compound containing furyl pentadienic ester groups and insolubilized by action of heat, light or electron beams FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 US disclosed
US-3931248-A Reactive high polymer compound FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 US disclosed