SCHEMBL9521828

SCHEMBL9521828

CC(C)N(CC([O])=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL11952830 0.79 ALDH1A1 (0.41) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL867976 0.79 TDP1 (0.41) MEN1KMT2ACYP2C19TDP1
Hydrochloric Acid SCHEMBL5577032 0.77 TDP1 (0.39) CYP2C19TDP1
SCHEMBL1594292 0.77 MEN1 (0.32) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL13138710 0.77 MEN1 (0.32) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL27737217 0.75 MEN1 (0.31) MEN1KMT2ACYP2C19ALDH1A1TDP1
SCHEMBL12988839 0.75 TDP1 (0.45) MEN1KMT2AALDH1A1TDP1
Bicarbonate SCHEMBL27506741 0.73 FFAR3 (0.35) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL22592155 0.73 TSHR (0.43) MEN1KMT2AALDH1A1
SCHEMBL9579552 0.71 MEN1 (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226896-B1 LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1993-09-15 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed