SCHEMBL9641567

SCHEMBL9641567

CC1CC(=O)CC(=O)C1.O=[N+]([O-])c1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ACHE P22303 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL10379315 0.82 HSD17B10 (0.41) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL9641590 0.80 PTPRC (0.40) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL9641093 0.79 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL25105 0.78 HSD17B10 (0.54) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL10379786 0.78 HSD17B10 (0.54) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL28554564 0.78 HSD17B10 (0.54) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL9640741 0.75 HSD17B10 (0.39) ALDH1A1LMNAPOLBACHEHSD17B10
SCHEMBL9641954 0.73 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TDP1KMT2A
SCHEMBL9641571 0.72 HSD17B10 (0.41) ALDH1A1LMNAHSD17B10TDP1KMT2A
Formic Acid SCHEMBL28004034 0.70 GPR35 (0.47) ALDH1A1HSD17B10TDP1KMT2AMAPT

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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