SCHEMBL10975155

SCHEMBL10975155

C=CCOc1ccc2c(c1)C1(CC(=O)NC1=O)c1cc(F)ccc1-2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 9/20 0.51
▸ AKR1A1 P14550 6/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA9 Q16790 2/20 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
SCHEMBL9672018 0.82 AKR1B1 (0.69) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL10930198 0.78 AKR1B1 (0.55) AKR1B1AKR1A1AKR1B10
SCHEMBL9671705 0.76 AKR1B1 (0.61) AKR1B1AKR1A1AKR1B10
SCHEMBL10929003 0.75 AKR1B1 (0.60) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9672965 0.72 AKR1B1 (0.56) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL21844215 0.72 AKR1B1 (0.62) AKR1B1AKR1A1AKR1B10
SCHEMBL10345515 0.71 AKR1B1 (0.55) AKR1B1AKR1A1AKR1B10
SCHEMBL9673456 0.70 AKR1B1 (0.57) AKR1B1AKR1A1AKR1B10MAPTKMT2A
SCHEMBL10929989 0.69 AKR1B1 (0.56) AKR1B1AKR1A1AKR1B10MAPTKMT2A
SCHEMBL11832119 0.67 MAOA (0.61) ADRA2AADRA2BADRA2CMEN1LMNA

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-4537892-A ANTIDIABETIC AGENTS ALCON LABORATORIES, INC. (US) 1985-08-27 — — US claimed
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