SCHEMBL4580237

SCHEMBL4580237

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TET2 Q6N021 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL11337283 0.81 CYP2C19 (0.48) TSHRHIF1ACYP2D6CYP2C19ALDH1A1
SCHEMBL5704287 0.77 TET2 (0.46) TSHRHIF1ACYP2D6CYP2C19TP53
SCHEMBL10428285 0.77 TET2 (0.38) TSHRHIF1ACYP2D6CYP2C19TP53
SCHEMBL22028552 0.76 TP53 (0.38) TSHRHIF1ACYP2D6CYP2C19TP53
SCHEMBL28052626 0.75 TET2 (0.45) TSHRHIF1ACYP2D6CYP2C19TP53
SCHEMBL497269 0.75 GGT1 (0.43) TSHRHIF1ACYP2D6CYP2C19TP53
SCHEMBL27931384 0.75 TET2 (0.45) TSHRHIF1ACYP2D6CYP2C19TP53
SCHEMBL5172333 0.75 TSHR (0.33) TSHRHIF1ACYP2D6CYP2C19TP53
Hexylene Glycol SCHEMBL28375776 0.74 ALDH1A1 (0.36) TSHRHIF1ATP53ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL27462515 0.73 TET2 (0.43) TSHRHIF1ACYP2D6CYP2C19TP53

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-7351773-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-04-01 US disclosed
US-20050023508-A1 Lithographic printing plate precursor; computer infrared laser development; storage stability, printing durability; water soluble or swellable polyamide or polyester containing unsaturated fuctionality, radically polymerizable compound, initiator and absorber FUJI PHOTO FILM CO., LTD. 2005-02-03 US disclosed