SCHEMBL8550083

SCHEMBL8550083

CCCCC1(C(=O)O)C(=O)CCC(=O)C1(CCCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.34
HSD17B10 Q99714 2/20 0.33
AKR1B1 P15121 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SCD O00767 1/20 0.32
ESR1 P03372 2/20 0.31
CYP2C19 P33261 1/20 0.31
ESR2 Q92731 1/20 0.31
PPARG P37231 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
TSHR P16473 2/20 0.31
GPR84 Q9NQS5 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8547517 0.88 HSD17B10 (0.33) POLBHSD17B10
SCHEMBL11127425 0.84 PPARG (0.47) KDM4EPOLBHSD17B10KMT2ACYP2C19
SCHEMBL8547113 0.79 POLB (0.31) POLB
SCHEMBL10935525 0.78 GPR84 (0.35) GPR84
SCHEMBL10980249 0.77
SCHEMBL6060679 0.71 SIRT2 (0.38) POLBHSD17B10MEN1KMT2ASIRT2
SCHEMBL17049040 0.69 CPB2 (0.39) KDM4EPKMHSD17B10MEN1KMT2A
SCHEMBL10187814 0.66 MMP2 (0.40) SIRT2
SCHEMBL481536 0.66 CETP (0.37) HSD17B10AKR1B1MEN1KMT2AESR1
SCHEMBL30538380 0.66 CETP (0.37) HSD17B10AKR1B1MEN1KMT2AESR1

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-0648733-B1 Process for the preparation of intermediates in the quinacridone synthesis CHEMIE LINZ GMBH (AT) 1998-01-21 EP disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed
EP-0648733-A2 Quinacridone synthesis and process for preparation of intermediates DSM Chemie Linz GmbH (AT) 1995-04-19 EP disclosed