SCHEMBL29065203

SCHEMBL29065203

CCC(C)(C)OCCCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
NFKB1 P19838 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6334611 0.93 ALDH1A1 (0.38) DNM1TSHRALDH1A1TDP1MEN1
SCHEMBL5932610 0.82
SCHEMBL19557307 0.81 DNM1 (0.36) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL30549094 0.80 ALDH1A1 (0.39) TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL16931644 0.80 ALDH1A1 (0.39) TSHRALDH1A1TDP1
SCHEMBL9750843 0.80 TSHR (0.39) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL9886651 0.79 DNM1 (0.36) DNM1TSHRALDH1A1MEN1KMT2A
SCHEMBL24400073 0.78 ALDH1A1 (0.38) TSHRALDH1A1TDP1
SCHEMBL2856530 0.78 LPAR3 (0.41) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL20476803 0.78 LPAR3 (0.41) TSHRALDH1A1TDP1MEN1KMT2A

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-111448242-B Curable fluorinated polymer composition 3M创新有限公司 2023-07-18 CN disclosed