SCHEMBL9640741

SCHEMBL9640741

CC1(C)OC(=O)CC(=O)O1.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ XDH P47989 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 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
SCHEMBL9641085 0.82 TSHR (0.45) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9641099 0.81 MAPK1 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL9640762 0.79 ALDH1A1 (0.42) ALDH1A1LMNATDP1KMT2AMAPT
SCHEMBL9641093 0.78 ALDH1A1 (0.44) HSD17B10ALDH1A1LMNATDP1KMT2A
SCHEMBL28554564 0.77 HSD17B10 (0.54) HSD17B10ALDH1A1LMNATDP1KMT2A
SCHEMBL25105 0.77 HSD17B10 (0.54) HSD17B10ALDH1A1LMNATDP1KMT2A
SCHEMBL10379786 0.77 HSD17B10 (0.54) HSD17B10ALDH1A1LMNATDP1KMT2A
SCHEMBL9641954 0.75 ALDH1A1 (0.37) HSD17B10ALDH1A1LMNATDP1KMT2A
SCHEMBL9641567 0.75 ALDH1A1 (0.42) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10379315 0.74 HSD17B10 (0.41) HSD17B10ALDH1A1LMNATDP1KMT2A

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
US-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 — — US disclosed
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