SCHEMBL17263293

SCHEMBL17263293

CC(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
PARP10 Q53GL7 6/20 0.45
PARP15 Q460N3 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
ESRRA P11474 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL195348 0.94 HPGD (0.56) ELANEHPGDRAB9AMAPTALDH1A1
SCHEMBL24813408 0.92 HPGD (0.58) ELANEHPGDRAB9AMAPTALDH1A1
Formaldehyde SCHEMBL28801121 0.90 HPGD (0.52) ELANEHPGDRAB9AMAPTALDH1A1
SCHEMBL1554442 0.87 PARP10 (0.56) HPGDRAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31393464 0.87 PARP10 (0.56) ELANEHPGDRAB9AMAPTALDH1A1
SCHEMBL11528364 0.85 MMP13 (0.58) ELANEHPGDRAB9AMAPTALDH1A1
SCHEMBL24799711 0.85 PARP10 (0.58) ELANEHPGDRAB9AMAPTALDH1A1
SCHEMBL8357803 0.85 PARP10 (0.58) ELANEHPGDRAB9AMAPTALDH1A1
SCHEMBL11529955 0.85 PARP10 (0.61) ELANEHPGDRAB9AMAPTALDH1A1
SCHEMBL2846783 0.84 PARP10 (0.43) ELANEHPGDRAB9AMAPTALDH1A1

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
US-10011730-B2 Printing ink FUJIFILM SPECIALITY INK SYSTEMS LIMITED (GB) 2018-07-03 US disclosed
US-9187658-B2 Photopolymerizable inkjet ink, ink cartridge, and inkjet recording device RICOH COMPANY, LTD. (JP) 2015-11-17 US disclosed