SCHEMBL9751234

SCHEMBL9751234

CP(=O)(NCC(=O)OCc1ccccc1)C1CC(c2ccccc2)=NO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ LMNA P02545 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MIF P14174 4/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL9751270 0.87 MME (0.43) MMEACEECE1CA1CA2
SCHEMBL9327057 0.71 CA1 (0.49) CA1CA2LMNAMEN1KMT2A
SCHEMBL9326044 0.69 CA1 (0.51) CA1CA2LMNAMEN1KMT2A
SCHEMBL9751233 0.68 CA1 (0.43) CA1CA2LMNAMEN1KMT2A
SCHEMBL31244593 0.68 ALDH1A1 (0.51) LMNAMEN1KMT2ATDP1L3MBTL1
SCHEMBL10581518 0.67 ALDH1A1 (0.54) LMNAMEN1KMT2AL3MBTL1RAB9A
SCHEMBL7695939 0.66 ALDH1A1 (0.66) CA1CA2LMNAMEN1KMT2A
SCHEMBL31353721 0.66 ALDH1A1 (0.56) LMNATSHRMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8053510 0.65 ALDH1A1 (0.63) CA1CA2LMNAMEN1KMT2A
SCHEMBL14642447 0.65 MIF (0.78) KMT2AMIFHDAC6ALDH1A1

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-5006515-A Immunology disorders, antitumor agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-09 — — US disclosed
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