SCHEMBL16610548

SCHEMBL16610548

C=CC(=O)CCCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.43
LMNA P02545 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM6B O15054 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
FAAH O00519 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL8733598 0.81 HDAC1 (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6571641 0.79 HRH1 (0.50) HRH1LMNAHRH4HRH3KDM6B
SCHEMBL13310793 0.79 THRB (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9579406 0.79 HDAC1 (0.47) HRH1LMNAKDM6BKDM4DKDM4C
SCHEMBL2441183 0.79 THRB (0.47) THRATHRBFFAR1
SCHEMBL31202751 0.79 HDAC1 (0.56) LMNAHRH3HDAC3HDAC1HDAC2
SCHEMBL1286084 0.77 HRH1 (0.53) HRH1LMNAHRH4HRH3HDAC3
SCHEMBL1624984 0.77 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24504176 0.76 MAPT (0.61) FAAHHDAC3HDAC1HDAC2HDAC8
SCHEMBL19456750 0.76 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6

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-2857180-B1 Multi-color ink for 3D printing, 3D printer, and method of controlling the 3D printer SAMSUNG ELECTRONICS CO LTD (KR) 2018-07-18 EP disclosed
EP-2857180-A2 Multi-color ink for 3D printing, 3D printer, and method of controlling the 3D printer Samsung Electronics Co., Ltd. (KR) 2015-04-08 EP disclosed