SCHEMBL30543573

SCHEMBL30543573

O=C(O)CC1CCC(=NO)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SLC6A1 P30531 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRB2 P47870 3/20 0.37
▸ SLC6A12 P48065 3/20 0.37
▸ SLC6A11 P48066 3/20 0.37
▸ SLC6A13 Q9NSD5 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRR1 P24046 2/20 0.37
▸ GABRA4 P48169 2/20 0.37
▸ DGAT1 O75907 1/20 0.35
▸ ITGB3 P05106 7/20 0.34
▸ ITGA2B P08514 7/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA5 P08648 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
SCHEMBL7679397 0.88 ALDH1A1 (0.47) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL2559145 0.74 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL27383074 0.74 — —
SCHEMBL29954148 0.74 ALDH1A1 (0.58) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL24397600 0.72 ALDH1A1 (0.56) ALDH1A1POLBMAPTTDP1SLC6A1
Ammonia Solution, Strong SCHEMBL28014494 0.72 ALDH1A1 (0.56) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL15723398 0.72 ALDH1A1 (0.56) ALDH1A1POLBMAPTTDP1SLC6A1
SCHEMBL10713526 0.69 GABRP (0.42) POLBGABRA5GABRB2GABRA1GABRR1
SCHEMBL11430429 0.69 BRD4 (0.42) ALDH1A1POLBTDP1KMT2A
SCHEMBL336991 0.69 ALDH1A1 (0.52) ALDH1A1POLBMAPTTDP1SLC6A1

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
CN-116640072-B Method for synthesizing oxime compound by catalyzing hydrocarbon bond oxidation through tetradentate nitrogen-containing coordination manganese 陕西师范大学 2025-02-28 — — CN disclosed
CN-116640072-A Method for synthesizing oxime compound by catalyzing hydrocarbon bond oxidation through tetradentate nitrogen-containing coordination manganese 陕西师范大学 2023-08-25 — — CN disclosed
Send feedback