SCHEMBL29857458

SCHEMBL29857458

CCCOc1ccccc1C=CC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.60
▸ MAPT P10636 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ NLRP1 Q9C000 1/20 0.60
▸ AR P10275 2/20 0.56
▸ NFE2L2 Q16236 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MAP3K7 O43318 1/20 0.49
▸ TAB1 Q15750 1/20 0.49
▸ TFEB P19484 1/20 0.49
▸ PTGER1 P34995 1/20 0.48
▸ PTGER4 P35408 1/20 0.48
▸ PTGER3 P43115 1/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47

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
SCHEMBL9716952 0.90 LMNA (0.61) LMNAMAPTALDH1A1PKMHTT
SCHEMBL28300287 0.89 LMNA (0.62) LMNAMAPTALDH1A1PKMHTT
SCHEMBL20446704 0.89 LMNA (0.62) LMNAMAPTALDH1A1PKMHTT
SCHEMBL14843147 0.86 PTGER1 (0.64) LMNAMAPTALDH1A1PKMHTT
SCHEMBL1356220 0.86 PTGER1 (0.64) LMNAMAPTALDH1A1PKMHTT
SCHEMBL19244382 0.83 NFE2L2 (0.56) LMNAMAPTALDH1A1PKMHTT
SCHEMBL19244471 0.83 KDM4E (0.59) LMNAMAPTALDH1A1PKMHTT
SCHEMBL7221477 0.82 ALDH1A1 (0.54) LMNAMAPTALDH1A1ARNFE2L2
SCHEMBL7221481 0.82 ALDH1A1 (0.54) LMNAMAPTALDH1A1ARNFE2L2
SCHEMBL1379749 0.80 NFE2L2 (0.74) LMNAMAPTALDH1A1ARNFE2L2

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
CN-111918881-B Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2022-08-12 — — CN disclosed
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