SCHEMBL7712106

SCHEMBL7712106

CCCCCCCOc1ccc(CCC(N)(CO)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 14/20 0.58
▸ S1PR4 O95977 10/20 0.58
▸ S1PR3 Q99500 10/20 0.58
▸ S1PR5 Q9H228 9/20 0.58
▸ TNNC1 P63316 5/20 0.58
▸ SGPL1 O95470 1/20 0.58
▸ GPR183 P32249 1/20 0.58
▸ CERS2 Q96G23 1/20 0.58
▸ SPHK2 Q9NRA0 2/20 0.54
▸ SPHK1 Q9NYA1 1/20 0.54
▸ S1PR2 O95136 3/20 0.52

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
SCHEMBL3391015 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3393534 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3389424 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3393720 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL2010273 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3393258 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3393863 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3394918 0.89 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
Hydrochloric Acid SCHEMBL8498844 0.87 S1PR1 (0.74) S1PR1S1PR4S1PR3S1PR5TNNC1
Hydrochloric Acid SCHEMBL8496359 0.87 S1PR1 (0.74) S1PR1S1PR4S1PR3S1PR5TNNC1

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-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 — — US disclosed
Send feedback