SCHEMBL11869481

SCHEMBL11869481

CCOC(=O)c1ccc(OC(=N)n2c(NC(=O)OC(C)C)nc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL11825914 0.92 RAB9A (0.47) RAB9ANPC1ALDH1A1TSHRGAA
SCHEMBL11832060 0.91 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1TSHRGAA
SCHEMBL11833251 0.88 CNR2 (0.41) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL11836758 0.88 TSHR (0.42) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL11833081 0.86 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1TSHRGAA
SCHEMBL11834403 0.86 CNR2 (0.47) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL11839868 0.85 NOD1 (0.44) ALDH1A1TSHRMAPTTP53LMNA
SCHEMBL11840780 0.84 TSHR (0.45) RAB9ANPC1ALDH1A1TSHRGAA
SCHEMBL11831895 0.83 LMNA (0.44) RAB9ANPC1ALDH1A1TSHRGAA
SCHEMBL11835551 0.83 TSHR (0.43) RAB9ANPC1ALDH1A1TSHRGAA

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-3956307-A FUNGICIDES SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 — — US disclosed
Send feedback