SCHEMBL6529129

SCHEMBL6529129

CCCCOc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.78
TNNC1 P63316 5/20 0.53
S1PR3 Q99500 3/20 0.53
SGPL1 O95470 1/20 0.53
S1PR4 O95977 1/20 0.53
GPR183 P32249 1/20 0.53
CERS2 Q96G23 1/20 0.53
S1PR5 Q9H228 1/20 0.53
GLA P06280 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BACE1 P56817 1/20 0.47
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47

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
Hydrochloric Acid SCHEMBL6507340 0.99 S1PR1 (0.76) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL6527719 0.90 S1PR1 (0.65) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL6508260 0.87 S1PR1 (0.61) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL6531435 0.86 S1PR1 (0.78) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL6507062 0.86 S1PR1 (0.60) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL10980032 0.82 SMN1; SMN2 (0.61) S1PR1S1PR3GLASMN1; SMN2BACE1
SCHEMBL10974737 0.82 SMN1; SMN2 (0.61) S1PR1S1PR3GLASMN1; SMN2BACE1
SCHEMBL9399173 0.81 SMN1; SMN2 (0.59) S1PR1GLASMN1; SMN2BACE1
SCHEMBL10980962 0.81 SMN1; SMN2 (0.59) S1PR1GLASMN1; SMN2BACE1
Hydrochloric Acid SCHEMBL6506579 0.81 S1PR1 (0.62) S1PR1TNNC1S1PR3SGPL1S1PR4

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO claimed