SCHEMBL24397614

SCHEMBL24397614

NC(=O)CC1CCC(=O)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ APEX1 P27695 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ RECQL P46063 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
SCHEMBL24397600 0.82 ALDH1A1 (0.56) ALDH1A1POLBMAPTTDP1APEX1
SCHEMBL26271460 0.80 ALDH1A1 (0.38) ALDH1A1POLBMAPTTDP1
SCHEMBL14841474 0.77 HSD11B1 (0.35) ALDH1A1POLBMAPTTDP1RECQL
SCHEMBL24411659 0.76 ALDH1A1 (0.35) ALDH1A1POLBMAPTTDP1
SCHEMBL18706310 0.74 THRB (0.38) ALDH1A1POLBMAPTTDP1APEX1
SCHEMBL24397537 0.74 EPHX2 (0.35) ALDH1A1POLBMAPTTDP1
SCHEMBL8164815 0.74 BRD4 (0.38) ALDH1A1POLBMAPTTDP1
SCHEMBL24411661 0.73 POLB (0.33) ALDH1A1POLBMAPTTDP1
SCHEMBL24411634 0.72 ALDH1A1 (0.33) ALDH1A1POLBMAPTTDP1
SCHEMBL17294238 0.72 — —

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-2022094148-A1 CONJUGATION REAGENTS AND METHODS USING 1,2-CYCLOHEXANEDIONES Encodia, Inc. (US) 2022-05-05 — — WO disclosed
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