SCHEMBL795409

SCHEMBL795409

CC(C)COC(=O)Oc1ccc([S+](c2ccccc2)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 2/20 0.38
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
BTN3A1 O00481 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
SCHEMBL794807 0.95 ELANE (0.50) ELANEKDM1AALDH1A1TSHRCA2
SCHEMBL12923375 0.88 ELANE (0.47) ELANEALDH1A1TSHRCA2
SCHEMBL12770088 0.87 ALDH1A1 (0.42) ELANEALDH1A1TSHRCA2HPGD
SCHEMBL795385 0.87 ELANE (0.58) ELANEKDM1AALDH1A1CA2ATM
SCHEMBL8322043 0.87 ELANE (0.58) ELANEKDM1AALDH1A1CA2ATM
SCHEMBL8323108 0.81 ELANE (0.66) ELANEKDM1ACA2
SCHEMBL8323468 0.81 ELANE (0.51) ELANEKDM1AALDH1A1CA2L3MBTL1
SCHEMBL21771812 0.80 ALDH1A1 (0.42) ELANEALDH1A1TSHRCA2ATM
SCHEMBL794937 0.80 ELANE (0.50) ELANEKDM1AALDH1A1TSHRCA2
SCHEMBL10589902 0.79 ELANE (0.49) ELANEKDM1AALDH1A1CA2ATM

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-20120070783-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND METHOD FOR FORMING RESIST PATTERN JSR CORPORATION (JP) 2012-03-22 US disclosed