SCHEMBL28126374

SCHEMBL28126374

CCCCCCCCCCCCCCCCCCCCCCN.Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
DNM1 Q05193 6/20 0.43
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43
PTPN11 Q06124 1/20 0.43
PLK1 P53350 1/20 0.43
HMGB1 P09429 1/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
Octadecylamine SCHEMBL28210994 1.00 ALDH1A1 (0.44) ALDH1A1DNM1TSHRMEN1KMT2A
Tetradecylamine SCHEMBL27874843 0.98 DNM1 (0.45) ALDH1A1DNM1TSHRMEN1KMT2A
SCHEMBL28172624 0.93 TSHR (0.47) ALDH1A1TSHRMEN1KMT2AHMGB1
SCHEMBL28857359 0.93 TSHR (0.47) ALDH1A1TSHRMEN1KMT2AHMGB1
Octane SCHEMBL28201125 0.91 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2APTPN11
Nonane SCHEMBL28015888 0.91 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2APTPN11
Heptane SCHEMBL27676269 0.91 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2APTPN11
Decane SCHEMBL27897583 0.91 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2APTPN11
Heptane SCHEMBL28015335 0.91 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2APTPN11
Dodecane SCHEMBL27541220 0.91 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2APTPN11

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-106460216-A Alluminum plating solution, aluminum film manufacturing method, and porous aluminum object 住友电气工业株式会社 2017-02-22 CN disclosed