SCHEMBL17052452

SCHEMBL17052452

CCC(C)(C)C(=O)OCCS(=O)(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 3/20 0.42
CNR2 P34972 7/20 0.40
CNR1 P21554 3/20 0.40
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL17052450 0.86 CNR1 (0.38) ALDH1A1LMNACNR2CNR1CYP1A2
SCHEMBL2682453 0.77 KMT2A (0.47) ALDH1A1LMNAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL19888578 0.74 KDM4E (0.46) ALDH1A1LMNACYP1A2MAPK1POLB
SCHEMBL17036741 0.74 ALDH1A1 (0.51) ALDH1A1LMNACNR2CYP1A2L3MBTL1
SCHEMBL18407736 0.72 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1MAPK1KDM4E
SCHEMBL17052455 0.72 CYP4F2 (0.33)
SCHEMBL17039356 0.72 ALDH1A1 (0.55) ALDH1A1LMNAL3MBTL1TSHRSMN1; SMN2
SCHEMBL753684 0.72 CYP4F2 (0.33)
SCHEMBL17052460 0.72 CYP4F2 (0.33)
SCHEMBL13949204 0.71 HTT (0.56) ALDH1A1LMNATSHRPOLBSMN1; SMN2

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-20150248054-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, METHOD OF MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2015-09-03 US disclosed