SCHEMBL3772965

SCHEMBL3772965

CCCCCCCOC(=O)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 2/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
PTPN11 Q06124 1/20 0.54
PLA2G4B P0C869 1/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ESR1 P03372 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52

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
SCHEMBL17713229 1.00 TSHR (0.60) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL336160 1.00 TSHR (0.60) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL436299 1.00 TSHR (0.60) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL15224 1.00 TSHR (0.60) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL3765761 1.00 TSHR (0.60) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL5431049 1.00 TSHR (0.60) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL9618569 0.98 TSHR (0.59) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL828469 0.95 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7078308 0.95 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL828217 0.95 TSHR (0.67) TSHRALDH1A1LMNATP53CYP3A4

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-20070007197-A1 System and method for synthesizing a polymeric membrane MAHENDRAN MAILVAGANAM 2007-01-11 US claimed
WO-2005037917-A1 SYSTEM AND METHOD FOR SYNTHESIZING A POLYMER MEMBRANE ZENON ENVIRONMENTAL INC. (CA) 2005-04-28 WO claimed
US-20140228135-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT KYODO YUSHI CO., LTD. (JP) 2014-08-14 US disclosed
US-20100323934-A1 GREASE COMPOSITION FOR CONSTANT VELOCITY JOINT AND CONSTANT VELOCITY JOINT NTN CORPORATION (JP) 2010-12-23 US disclosed
US-20080081873-A1 Thermoplastic Elastomer Composition And Method For Producing Same JSR CORPORATION (JP) 2008-04-03 US disclosed
EP-1816163-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR PRODUCING SAME JSR Corporation (JP) 2007-08-08 EP disclosed