SCHEMBL11226803

SCHEMBL11226803

CN(C(=O)Cl)C(=O)CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.61
▸ HDAC3 O15379 3/20 0.55
▸ HDAC1 Q13547 3/20 0.55
▸ HDAC2 Q92769 3/20 0.55
▸ HDAC8 Q9BY41 3/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.55
▸ HDAC5 Q9UQL6 3/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ HDAC9 Q9UKV0 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ KMT2A Q03164 2/20 0.50

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
SCHEMBL11224650 0.90 KMT2A (0.62) ALOX5HDAC2HDAC8HDAC6NPC1
SCHEMBL8493143 0.82 ALOX5 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL27410606 0.81 ALOX5 (0.67) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL11230235 0.79 ALOX5 (0.49) ALOX5HDAC8HDAC6NPC1RAB9A
SCHEMBL386559 0.77 ALOX5 (0.77) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL19302002 0.77 ALOX5 (0.62) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL829335 0.77 ALOX5 (0.61) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL61491 0.76 HDAC1 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL16658768 0.76 ALOX5 (0.75) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL16658769 0.76 ALOX5 (0.75) ALOX5HDAC3HDAC1HDAC2HDAC8

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
US-4312982-A BACTERICIDES BEECHAM GROUP LIMITED (GB) 1982-01-26 — — US disclosed
Send feedback