SCHEMBL25340883

SCHEMBL25340883

CCOC(=O)c1ccc(C(C)(C)CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX12 P18054 1/20 0.51
PTPN1 P18031 1/20 0.49
NAMPT P43490 1/20 0.49
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL3486461 0.81 CA1 (0.54) SMN1; SMN2RAB9AGAANPC1MEN1
SCHEMBL10545360 0.80 MEN1 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8993035 0.79 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AGAANPC1MEN1
SCHEMBL16664042 0.79 CA12 (0.56) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL25340300 0.79 SMN1; SMN2 (0.69) SMN1; SMN2RAB9AGAANPC1MEN1
SCHEMBL21058250 0.79 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AGAANPC1MEN1
SCHEMBL1790586 0.79 CA1 (0.59) SMN1; SMN2RAB9AGAANPC1MEN1
SCHEMBL17940713 0.78 SMN1; SMN2 (0.57) SMN1; SMN2RAB9AGAANPC1MEN1
SCHEMBL3485540 0.77 CA12 (0.58) SMN1; SMN2RAB9AGAANPC1MEN1
SCHEMBL4445509 0.77 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AGAANPC1MEN1

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-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 US disclosed
US-20230250539-A1 ELECTROREDUCTIVE CROSS COUPLING OHIO STATE INNOVATION FOUNDATION 2023-08-10 US disclosed