SCHEMBL27498014

SCHEMBL27498014

O=C(c1ccccc1)N(CC1CCCCC1)c1ccc(F)c([Ti])c1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
AGER Q15109 3/20 0.38
MTNR1A P48039 1/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
S1PR1 P21453 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6930803 0.82 ALDH1A1 (0.47)
SCHEMBL29479971 0.80 HDAC1 (0.38) HDAC1HDAC6AGERMTNR1ALPAR1
SCHEMBL4621748 0.80 ALDH1A1 (0.46) AGERMTNR1AOPRM1OPRK1SMN1; SMN2
SCHEMBL27482478 0.78 TSHR (0.47) HDAC1HDAC6LPAR1LPAR5
SCHEMBL482617 0.77 HDAC1 (0.36) HDAC1HDAC6AGERMTNR1ALPAR1
SCHEMBL27482847 0.77 HDAC1 (0.42) HDAC1HDAC6AGERMTNR1ALPAR1
SCHEMBL27497664 0.76 LPAR1 (0.37) LPAR1LPAR5
SCHEMBL27482134 0.75 ADRA2C (0.44) HDAC1HDAC6LPAR1LPAR5S1PR1
SCHEMBL27497662 0.74 KMT2A (0.42) S1PR1
SCHEMBL27483226 0.74 ADRA2C (0.46) HDAC1LPAR1LPAR5ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215379-C Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2005-08-17 CN disclosed
CN-1425068-A Fungal transcriptional activator useful in methods of producing polypeptides NOVOZYMES AS (DK) 2003-06-18 CN disclosed
CN-1374559-A Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2002-10-16 CN disclosed