SCHEMBL9102041

SCHEMBL9102041

O=C(O)CNC1=CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSK P43235 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
FFAR1 O14842 1/20 0.35
ALOX15 P16050 1/20 0.34
HPGD P15428 2/20 0.34
EPHX1 P07099 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33

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 SCHEMBL11870858 0.98 RAB9A (0.46) RAB9ATP53HDAC4HDAC2HDAC8
SCHEMBL3700324 0.98 RAB9A (0.46) RAB9ATP53HDAC4HDAC2HDAC8
Hydrochloric Acid SCHEMBL11871911 0.98 RAB9A (0.46) RAB9ATP53HDAC4HDAC2HDAC8
SCHEMBL11879078 0.96 RAB9A (0.44) RAB9ATP53HDAC4HDAC2HDAC8
SCHEMBL3702604 0.92 TP53 (0.47) RAB9ATP53HDAC4HDAC2HDAC8
SCHEMBL28330036 0.86
Hydrochloric Acid SCHEMBL11871905 0.84 HDAC4 (0.38) RAB9ATP53HDAC4HDAC2HDAC8
SCHEMBL11870851 0.81 HDAC4 (0.39) RAB9AHDAC4HDAC2HDAC8HDAC6
SCHEMBL11874913 0.81 HDAC4 (0.39) RAB9AHDAC4HDAC2HDAC8HDAC6
SCHEMBL11871053 0.80 HDAC4 (0.38) RAB9AHDAC4HDAC2HDAC8HDAC6

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-5550110-A PENTAPEPTIDE AND HEXAPEPTIDE ANALOGS OF ENDOTHELIN-1 WARNER-LAMBERT COMPANY (US) 1996-08-27 US disclosed