SCHEMBL11827857

SCHEMBL11827857

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.64
▸ TSHR P16473 1/20 0.64
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ PTGDR Q13258 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ HPGD P15428 4/20 0.43
▸ LIG1 P18858 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL11368844 0.88 GAA (0.78) GAATSHRNPC1RAB9AMEN1
SCHEMBL5575328 0.88 GAA (0.78) GAATSHRNPC1RAB9AMEN1
SCHEMBL11821446 0.86 GAA (0.62) GAATSHRNPC1RAB9AMEN1
SCHEMBL10524290 0.86 FLT3 (0.51) GAATSHRMEN1KMT2AFLT3
SCHEMBL5575323 0.85 GAA (0.61) GAATSHRNPC1RAB9AMEN1
SCHEMBL7272605 0.84 GAA (0.59) GAATSHRNPC1RAB9AMEN1
SCHEMBL8164464 0.83 GAA (0.53) GAATSHRNPC1RAB9AMEN1
SCHEMBL20471842 0.83 TSHR (0.48) GAATSHRNPC1RAB9AFLT3
SCHEMBL10848792 0.82 FLT3 (0.64) GAATSHRNPC1RAB9AFLT3
SCHEMBL11837001 0.81 GAA (0.60) GAATSHRNPC1RAB9AMEN1

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