SCHEMBL7366358

SCHEMBL7366358

CCCCCCOc1ccccc1N1CCN(c2ccc(C(=O)On3nnc4ccccc43)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6538447 0.89 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6538642 0.86 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6132401 0.82 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6538969 0.81 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6539503 0.81 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6539486 0.80 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6538531 0.78 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6133026 0.78 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7318368 0.78 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6539164 0.78 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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-0941236-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-15 EP disclosed
WO-1998023637-A1 CYCLOHEXAPEPTIDES HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-04 WO disclosed