SCHEMBL2040240

SCHEMBL2040240

CC1CC(=O)CC(C)C1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PPP5C P53041 1/20 0.38
EDNRA P25101 3/20 0.36
EDNRB P24530 2/20 0.36
GRM2 Q14416 3/20 0.35
GRM3 Q14832 3/20 0.35
GRM6 O15303 2/20 0.35
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
APLNR P35414 1/20 0.32
APEX1 P27695 1/20 0.32
GMNN O75496 1/20 0.32
PMP22 Q01453 1/20 0.32
TFPI2 P48307 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7325402 0.78 POLB (0.39) POLBLMNAALDH1A1MAPT
SCHEMBL7273731 0.78 POLB (0.39) POLBLMNAALDH1A1MAPT
SCHEMBL1933031 0.78 POLB (0.39) POLBLMNAALDH1A1MAPT
SCHEMBL7325409 0.78 POLB (0.39) POLBLMNAALDH1A1MAPT
SCHEMBL7280473 0.78 POLB (0.39) POLBLMNAALDH1A1MAPT
SCHEMBL4069733 0.76 POLB (0.39) POLBLMNAALDH1A1TDP1CTDSP1
SCHEMBL3464997 0.76 POLB (0.39) POLBLMNAALDH1A1TDP1CTDSP1
SCHEMBL16756317 0.76 POLB (0.39) POLBLMNAALDH1A1TDP1CTDSP1
SCHEMBL11268014 0.75 ALDH1A1 (0.44) POLBALDH1A1
SCHEMBL5138206 0.74

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-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 US disclosed