SCHEMBL15899682

SCHEMBL15899682

NC(=O)CCCCc1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.59
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
S1PR3 Q99500 5/20 0.49
UTRN P46939 1/20 0.48
PPARG P37231 1/20 0.48
HSPD1 P10809 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.47
HSPE1 P61604 1/20 0.47
FFAR1 O14842 1/20 0.47
P2RY14 Q15391 3/20 0.47
CETP P11597 1/20 0.47
HPSE Q9Y251 1/20 0.47
PTGES O14684 1/20 0.46
KDM4E B2RXH2 1/20 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
SCHEMBL15899728 0.77 S1PR1 (0.51) S1PR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3726997 0.77 HDAC3 (0.49) S1PR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3727000 0.77 HDAC3 (0.49) S1PR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL10882865 0.76 S1PR1 (0.61) S1PR1S1PR3HPSE
SCHEMBL25138775 0.75 HDAC1 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL26686864 0.75 NPC1 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL934424 0.74 HDAC1 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2092316 0.73 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2247289 0.73 RAB9A (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15437219 0.73 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6

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
EP-1986633-B1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORP PLC (GB) 2014-07-30 EP claimed