SCHEMBL26077180

SCHEMBL26077180

CC(C)N1CCCCOCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ CHRNA7 P36544 3/20 0.33
▸ HRH3 Q9Y5N1 8/20 0.33
▸ PKM P14618 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PDK1 Q15118 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ PDK3 Q15120 1/20 0.30

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
SCHEMBL16320942 0.95 ALDH1A1 (0.37) ALDH1A1CHRNA7HRH3PKMKDM4E
SCHEMBL10237822 0.93 ALDH1A1 (0.38) ALDH1A1CHRNA7HRH3PKMKDM4E
SCHEMBL23710822 0.91 ALDH1A1 (0.36) ALDH1A1CHRNA7HRH3PKMMAPT
SCHEMBL441543 0.90 PRKCG (0.37) ALDH1A1CHRNA7HRH3PKMKDM4E
SCHEMBL12660326 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL57304 0.81 — —
SCHEMBL4911003 0.81 — —
SCHEMBL24496310 0.81 CHRNA7 (0.42) ALDH1A1CHRNA7HRH3PKMKDM4E
SCHEMBL12045016 0.80 — —
SCHEMBL21954031 0.78 HRH3 (0.38) ALDH1A1CHRNA7HRH3PKMKDM4E

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
WO-2023180484-A1 ANTIBODY-CONJUGATES FOR TARGETING OF TUMOURS EXPRESSING PTK7 SYNAFFIX B.V. (NL) 2023-09-28 — — WO disclosed
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