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Sugi Predict / Compounds / SCHEMBL27938780

SCHEMBL27938780

SCHEMBL27938780

Cc1cc(C)cc(CC(c2cccc(F)c2)c2nc(-c3ccc(CNCCC(=O)O)cc3)no2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.48
▸ S1PR1 P21453 4/20 0.44
▸ FFAR1 O14842 1/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL28805778 0.92 PTPN1 (0.47) PTPN1S1PR1FFAR1HDAC1HDAC8
SCHEMBL9100890 0.92 PTPN1 (0.48) PTPN1S1PR1FFAR1
SCHEMBL28807635 0.90 PTPN1 (0.48) PTPN1S1PR1FFAR1HDAC1HDAC8
SCHEMBL27938890 0.90 PTPN1 (0.49) PTPN1S1PR1FFAR1HDAC1HDAC8
SCHEMBL27920264 0.90 PTPN1 (0.46) PTPN1S1PR1FFAR1HDAC1HDAC8
SCHEMBL27920426 0.89 PTPN1 (0.44) PTPN1S1PR1HDAC1HDAC8HDAC6
SCHEMBL9105652 0.84 PTPN1 (0.47) PTPN1S1PR1FFAR1HDAC1HDAC8
SCHEMBL9100995 0.84 PTPN1 (0.47) PTPN1S1PR1FFAR1HDAC1HDAC8
SCHEMBL9103709 0.82 S1PR1 (0.55) PTPN1S1PR1FFAR1
SCHEMBL9104686 0.81 PTPN1 (0.46) PTPN1S1PR1FFAR1HDAC1HDAC8

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
CN-103338766-A Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 — — CN claimed
CN-103338766-A Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN INC 2013-10-02 — — CN disclosed