SCHEMBL5961344

SCHEMBL5961344

CCN(CC)CCCNC(=O)C(C)(C)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PAOX Q6QHF9 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.41
RIPK1 Q13546 3/20 0.40
ALOX15 P16050 1/20 0.40
CA14 Q9ULX7 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX1 P07099 1/20 0.37
ACKR3 P25106 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL21018349 0.89 ALDH1A1 (0.42) ALDH1A1LMNARIPK1
SCHEMBL8279451 0.84 DNM1 (0.49) ALDH1A1PAOXRIPK1CA14DRD2
SCHEMBL14153988 0.84 RIPK1 (0.41) ALDH1A1RIPK1CA14DRD2DRD4
SCHEMBL13450761 0.82 EPHX1 (0.50) ALDH1A1RIPK1CA14DRD2DRD4
SCHEMBL10734749 0.82 ALDH1A1 (0.50) ALDH1A1PAOXGAALMNAALOX15
SCHEMBL17447509 0.81 PTGS1 (0.46) ALDH1A1RIPK1DRD2DRD4EPHX1
SCHEMBL14134865 0.81 EPHX1 (0.53) ALDH1A1RIPK1CA14DRD2DRD4
SCHEMBL4546721 0.81 EPHX1 (0.53) ALDH1A1RIPK1CA14DRD2DRD4
SCHEMBL5021617 0.79 EPHX1 (0.52) ALDH1A1RIPK1DRD2DRD4EPHX1
SCHEMBL14153992 0.78 RIPK1 (0.52) ALDH1A1LMNARIPK1DRD2DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329384-B2 Resist-modifying composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8168694-B2 Ink composition, ink set, ink for inkjet recording, ink set for inkjet recording, and ink cartridge for inkjet recording FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-20100297563-A1 RESIST-MODIFYING COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-25 US disclosed