SCHEMBL11822756

SCHEMBL11822756

C=CCOc1cc(Cl)ccc1C(=O)CCC(CC)(C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ PTGDR Q13258 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ LIG1 P18858 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ AKR1B10 O60218 1/20 0.32
▸ AKR1B1 P15121 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
SCHEMBL19124093 0.83 TSHR (0.57) GAATSHRNPC1RAB9AFLT3
SCHEMBL5575328 0.76 GAA (0.78) GAATSHRNPC1RAB9AFLT3
SCHEMBL11821446 0.75 GAA (0.62) GAATSHRNPC1RAB9AFLT3
SCHEMBL11827857 0.74 GAA (0.64) GAATSHRNPC1RAB9AFLT3
SCHEMBL7272605 0.73 GAA (0.59) GAATSHRNPC1RAB9AFLT3
SCHEMBL29389586 0.72 TSHR (0.49) GAATSHRNPC1RAB9AKDM4E
SCHEMBL11823375 0.72 TSHR (0.49) GAATSHRNPC1RAB9AKDM4E
SCHEMBL5575323 0.72 GAA (0.61) GAATSHRNPC1RAB9AFLT3
Hydrochloric Acid SCHEMBL11826513 0.71 TSHR (0.48) GAATSHRNPC1RAB9AKDM4E
SCHEMBL11837001 0.71 GAA (0.60) GAATSHRNPC1RAB9AFLT3

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
US-3933918-A ANTITUSSIVE KYOWA HAKKO KOGYO CO., LTD. (JA) 1976-01-20 — — US disclosed
Send feedback