SCHEMBL3503333

SCHEMBL3503333

C=C(C)C=COC(=O)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
DGKA P23743 1/20 0.44
TK1 P04183 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
PAM P19021 2/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
TRPA1 O75762 1/20 0.38
DNM1 Q05193 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL3505615 0.98 TSHR (0.49) TSHRDGKATK1LMNAPOLB
SCHEMBL3503236 0.98 TSHR (0.49) TSHRDGKATK1LMNAPOLB
SCHEMBL3503821 0.87 ALDH1A1 (0.43) TSHRTK1POLBPOLA1CES2
SCHEMBL8507189 0.84 TSHR (0.45) TSHRDGKATK1LMNAPOLB
SCHEMBL8505538 0.83 TSHR (0.47) TSHRDGKATK1LMNAPOLB
SCHEMBL8507896 0.83 TSHR (0.47) TSHRDGKATK1LMNAPOLB
SCHEMBL8506952 0.83 TSHR (0.47) TSHRDGKATK1LMNAPOLB
SCHEMBL8504967 0.83 TSHR (0.47) TSHRDGKATK1LMNAPOLB
SCHEMBL8506828 0.83 TSHR (0.47) TSHRDGKATK1LMNAPOLB
SCHEMBL8505364 0.83 TSHR (0.47) TSHRDGKATK1LMNAPOLB

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-9200298-B2 Host cells and methods for producing isoprenyl alkanoates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-01 US claimed
US-20100180491-A1 Host Cells and Methods for Producing Isoprenyl Alkanoates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-22 US claimed
WO-2009006386-A2 HOST CELLS AND METHODS FOR PRODUCING ISOPRENYL ALKANOATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-08 WO claimed
US-9200298-B2 Host cells and methods for producing isoprenyl alkanoates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-01 US disclosed
US-20100180491-A1 Host Cells and Methods for Producing Isoprenyl Alkanoates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-22 US disclosed
WO-2009006386-A2 HOST CELLS AND METHODS FOR PRODUCING ISOPRENYL ALKANOATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-08 WO disclosed