SCHEMBL28844537

SCHEMBL28844537

C=C(C(=O)O)C(C)N1C(C)(C)CCCC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 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
SCHEMBL27961792 0.69 TSHR (0.57) TSHRNFKB1CYP2C19
SCHEMBL20817184 0.69 TSHR (0.42) TSHRNFKB1CYP2C19SMN1; SMN2POLB
SCHEMBL5712749 0.69 ALDH1A1 (0.41) SMN1; SMN2
Pempidine SCHEMBL25374670 0.68 TSHR (0.60) TSHRNFKB1CYP2C19SMN1; SMN2POLB
Methacrylic Acid SCHEMBL29749189 0.68 TSHR (0.41) TSHRNFKB1CYP2C19SMN1; SMN2POLB
Methacrylic Acid SCHEMBL15456818 0.68 TSHR (0.41) TSHRNFKB1CYP2C19SMN1; SMN2POLB
SCHEMBL11037759 0.68 ALDH1A1 (0.41) SMN1; SMN2
SCHEMBL9230256 0.68 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL10763467 0.68 TSHR (0.43) TSHRNFKB1CYP2C19
SCHEMBL9786341 0.68 TSHR (0.43) TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107000419-A Transfer sheet and hard coating body using the same 大日本印刷株式会社 2017-08-01 CN disclosed