SCHEMBL31373353

SCHEMBL31373353

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.62
▸ ALDH1A1 P00352 8/20 0.47
▸ USP2 O75604 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ LMNA P02545 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ RECQL P46063 2/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ MAOB P27338 1/20 0.45
▸ CASP1 P29466 4/20 0.44
▸ CASP7 P55210 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ BRCA1 P38398 2/20 0.44
▸ HBB P68871 2/20 0.44

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
SCHEMBL12383611 0.86 SLC16A3 (0.51) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL10123976 0.86 SLC16A3 (0.70) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL31373350 0.82 SLC16A3 (0.70) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL17948699 0.81 SLC16A3 (0.69) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13384868 0.80 SLC16A3 (0.74) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL31373354 0.79 SLC16A3 (0.60) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL2843124 0.79 SLC16A3 (0.80) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL12511762 0.79 SLC16A3 (0.83) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL12761821 0.78 SLC16A3 (0.74) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238303 0.78 SLC16A3 (0.58) SLC16A3ALDH1A1USP2MEN1KMT2A

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-119462679-A High-selectivity ratio fluorescent probe for detecting homocysteine of colorectal cancer marker, preparation method of high-selectivity ratio fluorescent probe, method for detecting homocysteine by using high-selectivity ratio fluorescent probe and method for imaging homocysteine 湖南省肿瘤医院 2025-02-18 — — CN claimed
CN-119462679-A High-selectivity ratio fluorescent probe for detecting homocysteine of colorectal cancer marker, preparation method of high-selectivity ratio fluorescent probe, method for detecting homocysteine by using high-selectivity ratio fluorescent probe and method for imaging homocysteine 湖南省肿瘤医院 2025-02-18 — — CN disclosed
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