SCHEMBL11235563

SCHEMBL11235563

Cc1ccc(C)c(NCCCC(O)C(N)Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
GAA P10253 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HPGD P15428 1/20 0.39
BRD4 O60885 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Hydrochloric Acid SCHEMBL11239641 0.99 HTT (0.47) HTTGUCY1A1GUCY1B1KMT2AMEN1
SCHEMBL11241668 0.86 HDAC6 (0.40) HTTKMT2AMEN1GAAHDAC6
Hydrochloric Acid SCHEMBL11248320 0.85 HDAC6 (0.39) HTTKMT2AMEN1GAAHDAC6
SCHEMBL11244735 0.80 TSHR (0.36) KMT2AGAASMN1; SMN2LMNAALOX12
Hydrochloric Acid SCHEMBL11237752 0.79 TSHR (0.36) KMT2AGAASMN1; SMN2LMNAALOX12
SCHEMBL11229508 0.78 THRB (0.42) HTTKMT2AMEN1HPGDALDH1A1
SCHEMBL11235538 0.78 HTT (0.47) HTTGUCY1A1GUCY1B1KMT2AMEN1
SCHEMBL11231203 0.78 NPC1 (0.38) HTTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11238357 0.77 NPC1 (0.43) HTTKMT2AMEN1GAAHDAC8
Hydrochloric Acid SCHEMBL11238437 0.77 THRB (0.41) HTTKMT2AMEN1HPGDALDH1A1

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-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed