SCHEMBL9802835

SCHEMBL9802835

CC(C)(C)OC(=O)NCC1=CC(c2ccccc2)Cc2c(O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4A O75164 1/20 0.38
KCNA5 P22460 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
NAMPT P43490 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
CCKBR P32239 1/20 0.35
ACACB O00763 3/20 0.35
ACACA Q13085 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
IDO1 P14902 1/20 0.34
CKS1B P61024 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
SCHEMBL7312490 0.88 HDAC1 (0.41) HDAC1BRD4CREBBPKDM4AKCNA5
SCHEMBL9802602 0.84 EPHX2 (0.37) HDAC1BRD4CREBBPKDM4AKCNA5
SCHEMBL7446408 0.80 DRD2 (0.35) HDAC1BRD4CREBBPKDM4AKCNA5
Hydrochloric Acid SCHEMBL7447474 0.79 DRD2 (0.35) HDAC1BRD4CREBBPKDM4AKCNA5
SCHEMBL7315264 0.79 KDM4A (0.36) HDAC1BRD4CREBBPKDM4AKCNA5
Hydrochloric Acid SCHEMBL7440751 0.71 KMT2A (0.37)
SCHEMBL2573836 0.69 HDAC1 (0.57) HDAC1KDM4AKCNA5MALT1NAMPT
SCHEMBL12305686 0.69 BRD4 (0.57) HDAC1BRD4CREBBPKDM4ANAMPT
SCHEMBL12305689 0.69 KCNA5 (0.60) HDAC1KDM4AKCNA5MALT1NAMPT
SCHEMBL5792738 0.68 KCNA5 (0.52) HDAC1KDM4AKCNA5MALT1NAMPT

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-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 US disclosed