SCHEMBL6505535

SCHEMBL6505535

NC(CO)(CO)CCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.55
TNNC1 P63316 5/20 0.55
S1PR3 Q99500 3/20 0.55
S1PR4 O95977 2/20 0.55
S1PR5 Q9H228 2/20 0.55
SGPL1 O95470 1/20 0.55
GPR183 P32249 1/20 0.55
CERS2 Q96G23 1/20 0.55
FFAR1 O14842 1/20 0.47
HDAC2 Q92769 2/20 0.46
HDAC1 Q13547 1/20 0.45
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ENPP2 Q13822 1/20 0.44
MGLL Q99685 1/20 0.43
MAOB P27338 1/20 0.43
S1PR2 O95136 1/20 0.43

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
SCHEMBL8498023 0.90 TNNC1 (0.57) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8499522 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6529404 0.88 S1PR1 (0.59) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8500291 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8497060 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8498534 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8497058 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8495964 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496561 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496781 0.88 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5

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