SCHEMBL16610464

SCHEMBL16610464

C=C(C)C(=O)CCCc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
NPC1 O15118 2/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL17447470 0.82 ALDH1A1 (0.48) HRH1NPC1KMT2AHSD17B10HDAC3
Methacrylic Acid SCHEMBL1921401 0.78 CYP4A11 (0.42) HRH1NPC1KMT2ATHRATHRB
SCHEMBL6571641 0.77 HRH1 (0.50) HRH1NPC1HDAC3HDAC4HDAC1
SCHEMBL1419300 0.77 HRH1 (0.50) HRH1HSD17B10HDAC3HDAC4HDAC1
SCHEMBL9068837 0.77 HDAC3 (0.44) HRH1NPC1HDAC3HDAC4HDAC1
SCHEMBL14335950 0.77 SMN1; SMN2 (0.50) NPC1KMT2AHDAC2HDAC8HDAC6
SCHEMBL1921399 0.77 TSHR (0.49) HRH1NPC1THRATHRBSMN1; SMN2
SCHEMBL1286084 0.76 HRH1 (0.53) HRH1NPC1KMT2AHDAC3HDAC4
SCHEMBL1624984 0.76 HDAC3 (0.67) HSD17B10HDAC3HDAC4HDAC1HDAC7
Methacrylic Acid SCHEMBL1921991 0.76 HRH1 (0.46) HRH1THRATHRBFAAH

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