SCHEMBL11837001

SCHEMBL11837001

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PTGDR Q13258 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ FLT3 P36888 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ LIG1 P18858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ AKR1B1 P15121 3/20 0.37
▸ AKR1B10 O60218 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL5575328 0.84 GAA (0.78) GAATSHRNPC1RAB9APTGDR
SCHEMBL11827857 0.81 GAA (0.64) GAATSHRNPC1RAB9APTGDR
SCHEMBL11821446 0.80 GAA (0.62) GAATSHRNPC1RAB9APTGDR
SCHEMBL5575323 0.79 GAA (0.61) GAATSHRNPC1RAB9APTGDR
SCHEMBL7272605 0.78 GAA (0.59) GAATSHRNPC1RAB9APTGDR
SCHEMBL19124093 0.76 TSHR (0.57) GAATSHRNPC1RAB9APTGDR
SCHEMBL3314718 0.76 GAA (1.00) GAATSHRNPC1RAB9APTGDR
SCHEMBL30358593 0.73 GAA (0.53) GAATSHRNPC1RAB9AMEN1
SCHEMBL11368844 0.73 GAA (0.78) GAATSHRNPC1RAB9APTGDR
SCHEMBL11822756 0.71 GAA (0.51) GAATSHRNPC1RAB9APTGDR

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
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