SCHEMBL11224072

SCHEMBL11224072

CCOC(=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.77
▸ KDM4E B2RXH2 7/20 0.77
▸ HPGD P15428 7/20 0.77
▸ RAB9A P51151 6/20 0.77
▸ NPC1 O15118 5/20 0.77
▸ SMN1; SMN2 Q16637 4/20 0.77
▸ HSD17B10 Q99714 3/20 0.77
▸ CASP3 P42574 1/20 0.66
▸ SENP8 Q96LD8 1/20 0.66
▸ SENP7 Q9BQF6 1/20 0.66
▸ SENP6 Q9GZR1 1/20 0.66
▸ CA12 O43570 3/20 0.66
▸ CA1 P00915 3/20 0.66
▸ CA9 Q16790 3/20 0.66
▸ GAA P10253 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ KMT2A Q03164 3/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ TSHR P16473 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58

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
SCHEMBL11230052 0.88 CA12 (0.71) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL12987100 0.87 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL11232995 0.83 CA12 (0.74) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL7832867 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL12986344 0.82 KDM4E (0.74) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL29435302 0.82 KDM4E (0.74) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL15747020 0.81 CA12 (0.76) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8513693 0.81 CA12 (0.81) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL8609989 0.81 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL7915781 0.81 CA12 (0.75) ALDH1A1KDM4EHPGDRAB9ANPC1

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
US-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 — — US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 — — US disclosed
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