SCHEMBL8499372

SCHEMBL8499372

NC(CO)(CO)CCCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.60
S1PR1 P21453 3/20 0.60
S1PR4 O95977 2/20 0.60
S1PR3 Q99500 2/20 0.60
S1PR5 Q9H228 2/20 0.60
SGPL1 O95470 1/20 0.60
GPR183 P32249 1/20 0.60
CERS2 Q96G23 1/20 0.60
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAOA P21397 1/20 0.48
SPHK2 Q9NRA0 2/20 0.48
SPHK1 Q9NYA1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 2/20 0.47
ENPP2 Q13822 1/20 0.47
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
HDAC1 Q13547 2/20 0.46

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
SCHEMBL8496781 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8498850 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8500291 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8499522 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8497060 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8498534 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8497058 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8495964 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8496561 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL8499525 1.00 TNNC1 (0.60) TNNC1S1PR1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed