SCHEMBL28313658

SCHEMBL28313658

C=C(C)C(=O)NCCCCCOCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 5/20 0.36
CYP2C19 P33261 1/20 0.36
SPHK1 Q9NYA1 5/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL28312829 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRSMN1; SMN2EPHX2
SCHEMBL183822 0.99 TSHR (0.51) ALDH1A1TDP1TSHRSMN1; SMN2EPHX2
SCHEMBL183721 0.94 TSHR (0.49) ALDH1A1TDP1TSHRSMN1; SMN2EPHX2
SCHEMBL183842 0.90 ALDH1A1 (0.51) ALDH1A1TDP1TSHRSMN1; SMN2EPHX2
SCHEMBL10506240 0.87 TSHR (0.62) ALDH1A1TDP1TSHRSMN1; SMN2EPHX2
SCHEMBL10508708 0.84 TSHR (0.51) ALDH1A1TDP1TSHRSMN1; SMN2EPHX2
SCHEMBL10508554 0.84 TSHR (0.58) ALDH1A1TDP1TSHRSMN1; SMN2EPHX2
Methacrylic Acid SCHEMBL3457781 0.82 TSHR (0.60) ALDH1A1TDP1TSHRSMN1; SMN2TP53
Methacrylic Acid SCHEMBL925395 0.82 TSHR (0.60) ALDH1A1TDP1TSHRSMN1; SMN2TP53
SCHEMBL20380084 0.81 ALDH1A1 (0.43) ALDH1A1

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
CN-110088148-A The manufacturing method of 1,3,7- sarohornene polymer and its hydride and the polymer 株式会社可乐丽 2019-08-02 CN disclosed
CN-110088156-A Copolymer of 1,3, 7-octatriene and isoprene, hydrogenated product thereof, and method for producing the copolymer 株式会社可乐丽 2019-08-02 CN disclosed
CN-110088157-A Copolymer of 1,3, 7-octatriene and butadiene, hydrogenated product thereof, and method for producing the copolymer 株式会社可乐丽 2019-08-02 CN disclosed
CN-110088155-A The manufacturing method of the copolymer and its hydride and the copolymer of 1,3,7- sarohornene and styrene 株式会社可乐丽 2019-08-02 CN disclosed