SCHEMBL2911694

SCHEMBL2911694

c1ccc(NOCCCCCCCCCCONc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.42
HDAC2 Q92769 10/20 0.42
HDAC3 O15379 9/20 0.42
HDAC4 P56524 9/20 0.42
HDAC7 Q8WUI4 9/20 0.42
HDAC10 Q969S8 9/20 0.42
HDAC11 Q96DB2 9/20 0.42
HDAC8 Q9BY41 9/20 0.42
HDAC6 Q9UBN7 9/20 0.42
HDAC9 Q9UKV0 9/20 0.42
HDAC5 Q9UQL6 9/20 0.42
KCNA3 P22001 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CTSD P07339 1/20 0.38
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL3366323 1.00 HDAC1 (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL25333055 0.93 ALDH1A1 (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2803168 0.90 LTA4H (0.46) ALDH1A1TSHRSLC6A2MAPK1HTR2B
SCHEMBL18049455 0.90 LTA4H (0.46) ALDH1A1TSHRSLC6A2MAPK1HTR2B
SCHEMBL905673 0.90 LTA4H (0.46) ALDH1A1TSHRSLC6A2MAPK1HTR2B
SCHEMBL9169265 0.90 LTA4H (0.46) ALDH1A1TSHRSLC6A2MAPK1HTR2B
SCHEMBL3523840 0.90 LTA4H (0.46) ALDH1A1TSHRSLC6A2MAPK1HTR2B
SCHEMBL14627814 0.90 HDAC3 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL11672538 0.90 LTA4H (0.46) ALDH1A1TSHRSLC6A2MAPK1HTR2B
SCHEMBL7593121 0.90 LTA4H (0.46) ALDH1A1TSHRSLC6A2MAPK1HTR2B

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
EP-2222815-A1 PHOTOALIGNMENT COMPOSITION Rolic Ltd. (CH) 2010-09-01 EP disclosed
WO-2009080271-A1 PHOTOALIGNMENT COMPOSITION ROLIC LTD. (CH) 2009-07-02 WO disclosed