SCHEMBL23019789

SCHEMBL23019789

CCCCCCCCNC1CCCC(C(=O)NC2CCN(C(=O)OC(C)(C)C)C2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ USP30 Q70CQ3 9/20 0.45
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ NAAA Q02083 1/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL23585219 0.98 EPHX1 (0.45) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL25021947 0.87 EPHX1 (0.47) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL28969019 0.87 EPHX1 (0.47) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL29042882 0.86 EPHX1 (0.48) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL29042866 0.86 EPHX1 (0.48) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL29042867 0.86 EPHX1 (0.48) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL13696758 0.84 EPHX1 (0.58) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL28779682 0.84 USP30 (0.48) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL28779683 0.84 USP30 (0.48) EPHX1ALDH1A1USP30MEN1MAPT
SCHEMBL28779703 0.82 EPHX1 (0.48) EPHX1ALDH1A1USP30MEN1MAPT

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
EP-3277677-B9 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2021-07-14 — — EP disclosed
EP-3277677-B1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2021-02-24 — — EP disclosed
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