SCHEMBL27817067

SCHEMBL27817067

NCOC(CO)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SCN4A P35499 2/20 0.46
▸ MAOA P21397 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MTNR1A P48039 3/20 0.39
▸ MTNR1B P49286 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL12189181 0.82 LMNA (0.52) LMNACYP2C9TSHRSCN4AMAOA
SCHEMBL11121696 0.79 LMNA (0.52) LMNACYP2C9TSHRSCN4AMAOA
SCHEMBL30173401 0.79 LMNA (0.52) LMNACYP2C9TSHRSCN4AMAOA
SCHEMBL3081620 0.78 TSHR (0.73) LMNACYP2C9TSHRSCN4AMAOA
SCHEMBL15801032 0.78 TSHR (0.73) LMNACYP2C9TSHRSCN4AMAOA
SCHEMBL29184943 0.77 PLA2G2A (0.54) LMNACYP2C9TSHR
SCHEMBL3618914 0.73 SCN4A (0.57) LMNASCN4AMAOAPTGS1TAAR1
SCHEMBL3625050 0.73 SCN4A (0.57) LMNASCN4AMAOAPTGS1TAAR1
SCHEMBL24304919 0.72 LMNA (0.57) LMNASCN4AMAOAPTGS1ALDH1A1
SCHEMBL8611902 0.72 POLB (0.56) LMNACYP2C9TSHRMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101827870-B Novel adducts useful as cure components for anaerobic curable compositions HENKEL CORP 2013-01-09 — — CN disclosed
CN-101827870-A Novel adducts useful as cure components for anaerobic curable compositions HENKEL CORP 2010-09-08 — — CN disclosed
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