SCHEMBL5568145

SCHEMBL5568145

CC12CC3CC(C(=O)O)(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.49
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2D O15399 3/20 0.40
GRIN3B O60391 3/20 0.40
GRIN2B Q13224 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN3A Q8TCU5 3/20 0.40
LMNA P02545 2/20 0.40
P2RX7 Q99572 1/20 0.40
SLC22A1 O15245 1/20 0.40
ESR1 P03372 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL29223865 0.96 MEN1 (0.58) MEN1KMT2AMAPTGAAALOX12
SCHEMBL20604787 0.96 MEN1 (0.58) MEN1KMT2AMAPTGAAALOX12
SCHEMBL1003347 0.96 MEN1 (0.58) MEN1KMT2AMAPTGAAALOX12
Hydrochloric Acid SCHEMBL4883396 0.92 MEN1 (0.54) MEN1KMT2AMAPTGAAALOX12
SCHEMBL4991415 0.88 MEN1 (0.47) MEN1KMT2AMAPTGAAALOX12
SCHEMBL6229202 0.88 MEN1 (0.44) MEN1KMT2AMAPTGAAALOX12
SCHEMBL6227663 0.88 MEN1 (0.44) MEN1KMT2AMAPTGAAALOX12
SCHEMBL5608428 0.87 MEN1 (0.46) MEN1KMT2AMAPTGAAALOX12
SCHEMBL8498553 0.87 GRIN1 (0.62) MEN1KMT2AMAPTGAAALOX12
SCHEMBL282760 0.86 PKM (0.42) MEN1KMT2AGAASMN1; SMN2ALOX15

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-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
EP-1602975-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-12-07 EP disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed