SCHEMBL9547540

SCHEMBL9547540

CN(C)C(=O)N(C)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
S1PR4 O95977 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
ALOX5 P09917 2/20 0.36
PTPN1 P18031 2/20 0.35
RIPK1 Q13546 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 5/20 0.34
POLB P06746 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
PKM P14618 2/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
PTPN7 P35236 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
SCHEMBL3577961 0.82 SMN1; SMN2 (0.47) CES2CES1S1PR4LMNASMN1; SMN2
SCHEMBL1694938 0.82 LMNA (0.41) CES2CES1S1PR4LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5352593 0.80 SMN1; SMN2 (0.46) CES2CES1S1PR4LMNASMN1; SMN2
SCHEMBL9483989 0.80 ALOX5 (0.47) CES2CES1S1PR4LMNASMN1; SMN2
SCHEMBL13713225 0.77 RIPK1 (0.43) CES2CES1S1PR4LMNASMN1; SMN2
SCHEMBL18920572 0.76 KMT2A (0.50) LMNASMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL28102185 0.76 S1PR4 (0.38) CES2CES1S1PR4LMNASMN1; SMN2
SCHEMBL9547589 0.74 CES2 (0.44) CES2CES1LMNASMN1; SMN2RAB9A
SCHEMBL10525574 0.73 LMNA (0.35) CES2CES1S1PR4LMNASMN1; SMN2
SCHEMBL9547541 0.73 SMN1; SMN2 (0.44) CES2CES1S1PR4LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194660-A Processes for producing carbamates and isocyanates UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-16 US disclosed
EP-0083096-B1 PRODUCTION OF URETHANE COMPOUNDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-02-25 EP disclosed
US-4621149-A PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-11-04 US disclosed
EP-0083096-A2 Production of urethane compounds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-07-06 EP disclosed