SCHEMBL21396664

SCHEMBL21396664

O=C(OCC12CC3CC(CC(C3)C1)C2)C(C(=O)OC1CCCCC1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX2 P34913 5/20 0.33
CYP2C19 P33261 1/20 0.33
SCN9A Q15858 2/20 0.32
CYP19A1 P11511 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
EPHX1 P07099 1/20 0.31
CKS1B P61024 1/20 0.31
SKP2 Q13309 1/20 0.31

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
SCHEMBL21398830 0.82 CA12 (0.38) ALDH1A1L3MBTL1MEN1KMT2ACA12
SCHEMBL21396812 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2ACA12
SCHEMBL21396652 0.81 CYP19A1 (0.41) L3MBTL1CA12CA1CA2CA9
SCHEMBL21396626 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1KMT2ACA12
SCHEMBL21396546 0.76 LMNA (0.41) L3MBTL1CYP2C19CYP19A1EPHX1
SCHEMBL21396709 0.76 EPHX1 (0.40) ALDH1A1L3MBTL1MEN1KMT2ACYP19A1
SCHEMBL21398685 0.75 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ACA12
SCHEMBL21396994 0.74 MEN1 (0.53) ALDH1A1L3MBTL1MEN1KMT2ACA12
SCHEMBL27437442 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1KMT2ACA12
SCHEMBL15858353 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1KMT2ACA12

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-20190294042-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed