SCHEMBL6447618

SCHEMBL6447618

CCC(C)Cc1ccc(C(=O)O)c(CC(C)CC)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
ELANE P08246 1/20 0.32
CYP1A2 P05177 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 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
SCHEMBL1446930 0.88 MAPT (0.36) MAPTPOLBALDH1A1KDM4ERAB9A
SCHEMBL6574116 0.88 ACE2 (0.35) ALDH1A1ELANECYP1A2CA12CA1
SCHEMBL6451346 0.85 MAPT (0.42) MAPTPOLBALDH1A1KDM4ERAB9A
SCHEMBL6444382 0.83 POLB (0.39) POLBALDH1A1KDM4ERAB9ACYP1A2
SCHEMBL6443243 0.82 LMNA (0.39) MAPTALDH1A1GABRA1GABRB2SMN1; SMN2
SCHEMBL6834122 0.81 ALDH1A1 (0.34) MAPTPOLBALDH1A1KDM4ERAB9A
SCHEMBL28134185 0.78 CA12 (0.43) MAPTPOLBALDH1A1KDM4ECA12
SCHEMBL1446880 0.76 PLA2G1B (0.33) POLBALDH1A1KDM4ERAB9AGABRP
SCHEMBL226029 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ECA2HTTLMNA
SCHEMBL29679805 0.76 BID (0.48) MAPTKDM4E

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
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP claimed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP claimed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194396-B1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AG (DE) 2005-11-09 EP disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed