SCHEMBL10981877

SCHEMBL10981877

CCN(CO)c1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ GFER P55789 1/20 0.45
▸ HPGD P15428 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ S1PR1 P21453 3/20 0.43
▸ THRB P10828 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ GPX4 P36969 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL10980711 0.90 ACHE (0.46) ALDH1A1CYP3A4GFERHPGDTDP1
SCHEMBL30565134 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4GFERHPGDTDP1
SCHEMBL457496 0.88 ALDH1A1 (0.61) ALDH1A1CYP3A4GFERHPGDTDP1
Hydrochloric Acid SCHEMBL8958612 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4GFERHPGDTDP1
SCHEMBL21065767 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4GFERHPGDTDP1
Lithium Ion SCHEMBL19732664 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4GFERHPGDTDP1
SCHEMBL26645950 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERHPGDMEN1
SCHEMBL139721 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERHPGDMEN1
SCHEMBL29872680 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4GFERHPGDMEN1
SCHEMBL9365623 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4GFERHPGDTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503145-A DIAGNOSIS OF LIVER DISORDERS FUJI PHOTO FILM CO., LTD. (JP) 1985-03-05 — — US disclosed
US-4478942-A CATIONIC DYE BOUND TO ANIONIC POLYMER FOR ASSAY OF HYDROGEN PEROXIDE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-23 — — US disclosed
US-4418037-A PYROGALLOL DERIVATIVE STORAGE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 1983-11-29 — — US disclosed
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