SCHEMBL10207205

SCHEMBL10207205

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
FFAR3 O14843 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
TET2 Q6N021 1/20 0.30

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
Hydrochloric Acid SCHEMBL10277170 0.97 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL14926784 0.85 TSHR (0.32) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL18936928 0.79 CA12 (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL16390585 0.76 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL6944552 0.76 LMNA (0.31)
SCHEMBL29619903 0.76 TSHR (0.43) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL10207226 0.76 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL6562033 0.76 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL11819437 0.74 LMNA (0.30)
SCHEMBL8583309 0.74 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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
CN-102483572-B Photopolymerizable composition, color filter, method for producing same, solid-state image pickup element, liquid crystal display device, lithographic printing original plate, and novel compound FUJI PHOTO FILM CO LTD 2014-04-09 CN disclosed
CN-102483572-A Photopolymerizable composition, color filter, method for producing same, solid-state image pickup element, liquid crystal display device, lithographic printing original plate, and novel compound FUJIFILM CORP 2012-05-30 CN disclosed
WO-2012004287-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTORS MERCK SERONO S.A. (CH) 2012-01-12 WO disclosed