SCHEMBL19360450

SCHEMBL19360450

CCC(C)(C)C(=O)OCCCCCCOC(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ STS P08842 5/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL19360454 1.00 HRH3 (0.54) HRH3DRD3TDP1HDAC6ADRB2
SCHEMBL17933449 0.94 HRH3 (0.53) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL19360457 0.90 HRH3 (0.50) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL19360471 0.90 HRH3 (0.50) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL20100236 0.84 HRH3 (0.61) HRH3DRD3ALDH1A1MAPTNPC1
SCHEMBL3157861 0.84 HRH3 (0.61) HRH3DRD3ALDH1A1MAPTNPC1
SCHEMBL16606224 0.84 HRH3 (0.61) HRH3DRD3ALDH1A1MAPTNPC1
SCHEMBL20100235 0.84 HRH3 (0.61) HRH3DRD3ALDH1A1MAPTNPC1
SCHEMBL6932101 0.84 HRH3 (0.61) HRH3DRD3ALDH1A1MAPTNPC1
SCHEMBL17930043 0.83 HRH3 (0.43) HRH3DRD3ADRB2ADRB1ADRB3

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-20170267884-A1 INK AND METHOD FOR PRODUCING SAME, AND INK STORED CONTAINER, PRINTING METHOD, AND PRINTING APPARATUS RICOH COMPANY, LTD. (JP) 2017-09-21 — — US disclosed
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