SCHEMBL10946604

SCHEMBL10946604

CCCCCCCCC(=O)OC1=C(c2ccc(F)cc2)C(=O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLM Q9NP87 2/20 0.38
▸ POLK Q9UBT6 2/20 0.38
▸ POLL Q9UGP5 2/20 0.38
▸ POLH Q9Y253 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL10948746 0.90 KMT2A (0.40) GAAKMT2ASMN1; SMN2POLMPOLK
SCHEMBL10946309 0.90 KMT2A (0.40) GAAKMT2ASMN1; SMN2POLMPOLK
SCHEMBL10945217 0.90 KMT2A (0.40) GAAKMT2ASMN1; SMN2POLMPOLK
SCHEMBL10942813 0.89 KMT2A (0.40) GAAKMT2ASMN1; SMN2POLMPOLK
SCHEMBL10947331 0.89 KMT2A (0.38) KMT2ASMN1; SMN2POLMPOLKPOLL
SCHEMBL10951881 0.87 KMT2A (0.40) GAAKMT2ASMN1; SMN2POLMPOLK
SCHEMBL10945418 0.85 KMT2A (0.38) KMT2ASMN1; SMN2POLMPOLKPOLL
SCHEMBL10950579 0.84 HPGD (0.41) KMT2ASMN1; SMN2POLMPOLKPOLL
SCHEMBL10948933 0.82 KMT2A (0.37) KMT2ASMN1; SMN2POLMPOLKPOLL
SCHEMBL10951657 0.81 TOP2A (0.41) GAAKMT2ASMN1; SMN2POLMPOLK

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-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
Send feedback