SCHEMBL22828112

SCHEMBL22828112

CC(C)(CC1CCC[C@@H]1C(C)(C)CCN)C1CCCCCCCCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3003282 0.69 CYP1A2 (0.37) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL20841523 0.68 MEN1 (0.43) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL9555928 0.68 MEN1 (0.43) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL19840401 0.67 SIGMAR1 (0.43) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL9377475 0.66 SIGMAR1 (0.47) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL29102614 0.66 SIGMAR1 (0.39) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL17818782 0.65 MEN1 (0.40) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL26228969 0.65 SIGMAR1 (0.35) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL20357466 0.65 SIGMAR1 (0.35) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL2993593 0.64 CYP1A2 (0.41) MEN1ALDH1A1LMNAALOX12KMT2A

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-10944039-B2 Fabricating transmon qubit flip-chip structures for quantum computing devices INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-03-09 US disclosed
US-20200403138-A1 FABRICATING TRANSMON QUBIT FLIP-CHIP STRUCTURES FOR QUANTUM COMPUTING DEVICES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-12-24 US disclosed