Hexane

Hexane

SCHEMBL7106975

CCCCCC.O=C(O)CCCCC(=O)OCCO

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.66
MGLL Q99685 1/20 0.59
PAM P19021 2/20 0.59
AKR1B1 P15121 1/20 0.59
GPR84 Q9NQS5 7/20 0.57
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
TSHR P16473 4/20 0.57
PTPN1 P18031 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TLR2 O60603 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
FABP4 P15090 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57
ESR1 P03372 1/20 0.57
ALOX15 P16050 1/20 0.57

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
Dodecanoate SCHEMBL22365906 0.98 DGKA (0.69) DGKAMGLLPAMAKR1B1GPR84
Hexanoate SCHEMBL11510694 0.98 DGKA (0.69) DGKAMGLLPAMAKR1B1GPR84
Stearic Acid SCHEMBL767179 0.98 DGKA (0.69) DGKAMGLLPAMAKR1B1GPR84
SCHEMBL117775 0.92 DGKA (0.76) DGKAMGLLPAMTSHRALDH1A1
SCHEMBL23656812 0.90 DGKA (0.80) DGKAMGLLPAMTSHRALDH1A1
SCHEMBL2530608 0.90 DGKA (0.80) DGKAMGLLPAMTSHRALDH1A1
SCHEMBL10412 0.90 DGKA (0.80) DGKAMGLLPAMTSHRALDH1A1
SCHEMBL168967 0.90 DGKA (0.80) DGKAMGLLPAMTSHRALDH1A1
SCHEMBL3503192 0.90 DGKA (0.80) DGKAMGLLPAMTSHRALDH1A1
SCHEMBL1443883 0.90 DGKA (0.80) DGKAMGLLPAMTSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225240-A1 Modified urethane compositions containing adducts of O-phthalic anhydride ester polyols UNIROYAL CHEMICAL COMPANY, INC. 2003-12-04 US claimed
US-20030225240-A1 Modified urethane compositions containing adducts of O-phthalic anhydride ester polyols UNIROYAL CHEMICAL COMPANY, INC. 2003-12-04 US disclosed