SCHEMBL9513620

SCHEMBL9513620

CC(CO)COC1CCCO1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10396014 0.95 MEN1 (0.36) MEN1KMT2A
SCHEMBL20267207 0.95 MEN1 (0.36) MEN1KMT2A
SCHEMBL9796636 0.95 MEN1 (0.36) MEN1KMT2A
SCHEMBL21594587 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL12306831 0.81 MEN1 (0.35) MEN1KMT2A
SCHEMBL11528426 0.81 CTSV (0.32) MEN1KMT2A
SCHEMBL27926383 0.80 HPGD (0.33) MEN1KMT2A
SCHEMBL18483727 0.79 MEN1 (0.34) MEN1KMT2A
SCHEMBL13316609 0.78 MEN1 (0.35) MEN1KMT2A
SCHEMBL14287629 0.78 MEN1 (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4465873-A HYDROFORMYLATION, HYDROGENATION, DISTILLATION DAICEL CHEMICAL INDUSTRIED, LTD. (JP) 1984-08-14 US claimed
EP-0388868-B1 Process for the production of 1,4-butane diol and tetrahydrofuran BASF AG (DE) 1993-11-10 EP disclosed
US-5008408-A Heating 4-hydroxy butyraldehyde, catalytic hydrogenation of resulting acetal intermediate BASF AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
EP-0388868-A2 Process for the production of 1,4-butane diol and tetrahydrofuran BASF Aktiengesellschaft (DE) 1990-09-26 EP disclosed
US-4465873-A HYDROFORMYLATION, HYDROGENATION, DISTILLATION DAICEL CHEMICAL INDUSTRIED, LTD. (JP) 1984-08-14 US disclosed