SCHEMBL11297009

SCHEMBL11297009

CCC1CCC(OC)(OC)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.35
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL16316966 0.78 KDM4E (0.38) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL18377814 0.78 KDM4E (0.38) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4749397 0.78
SCHEMBL2931908 0.78 APLNR (0.32)
SCHEMBL2937834 0.78
SCHEMBL7963544 0.75 ESR2 (0.32)
SCHEMBL178339 0.74 KDM4E (0.42) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL19501864 0.73 KDM4E (0.45) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL18377811 0.72 KDM4E (0.34) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL18322605 0.72 POLB (0.38) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-4281173-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1981-07-28 US disclosed
US-4195184-A Preparation of unsaturated monoesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1980-03-25 US disclosed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US disclosed
US-4171450-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1979-10-16 US disclosed