SCHEMBL9737188

SCHEMBL9737188

CCC1(c2ccccc2)NC(C)COC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL19047048 0.69 CHRNB2 (0.40) CYP2C19TSHRMEN1CYP1A2POLB
SCHEMBL11255982 0.67 CYP2C19 (0.53) CYP2C19TSHRMEN1CYP1A2POLB
SCHEMBL485258 0.65 LMNA (0.38) MEN1KMT2ALMNA
SCHEMBL12970866 0.64 CRBN (0.30) —
SCHEMBL29931742 0.64 ALDH1A1 (0.35) TSHRMEN1CYP1A2POLBAPEX1
SCHEMBL8109132 0.64 CYP2C19 (0.45) CYP2C19TSHRMEN1CYP1A2POLB
SCHEMBL4123231 0.63 ADAM17 (0.62) CYP2C19TSHRLMNAMAPT
SCHEMBL2191989 0.63 ADAM17 (0.62) CYP2C19TSHRLMNAMAPT
SCHEMBL3400918 0.63 ADAM17 (0.62) CYP2C19TSHRLMNAMAPT
SCHEMBL10153059 0.63 TSHR (0.50) CYP2C19TSHRMEN1CYP1A2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089614-A Polysubstituted 2-morpholones THE B. F. GOODRICH COMPANY (US) 1992-02-18 — — US disclosed
US-4914232-A FOR POLYMERS THE B. F. GOODRICH COMPANY (US) 1990-04-03 — — US disclosed
US-4528370-A Polysubstituted 2-morpholones NOVEON IP HOLDINGS CORP., FORMERLY KNOWN AS PMD HOLDINGS CORP. 1985-07-09 — — US disclosed
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