1-Heptanol

1-Heptanol

SCHEMBL4636054

CCCCCCCO.O=C(O)C1(C(=O)O)CCCCC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
GPR84 Q9NQS5 6/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 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
SCHEMBL12501880 0.81 TSHR (0.43) TSHRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17451245 0.80 GPR84 (0.45) TSHRALDH1A1HSD17B10MEN1KMT2A
2-Nonanol SCHEMBL2917259 0.80 GPR84 (0.44) GPR84PPARDFFAR1FFAR4
Ethylene Glycol SCHEMBL28971899 0.80 CYP2C19 (0.44) TSHRALDH1A1LMNASMN1; SMN2CYP4F2
Ethylene Glycol SCHEMBL31365991 0.80 CYP2C19 (0.44) TSHRALDH1A1LMNASMN1; SMN2CYP4F2
Ethylene Glycol SCHEMBL25433245 0.80 CYP2C19 (0.44) TSHRALDH1A1LMNASMN1; SMN2CYP4F2
SCHEMBL12501760 0.79 TSHR (0.44) TSHRALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2917644 0.78 GPR84 (0.49) ALDH1A1KMT2AGPR84PPARDFFAR1
SCHEMBL10699445 0.78 MEN1 (0.46) TSHRALDH1A1MEN1KMT2A
2-Heptanol SCHEMBL3759183 0.77 GPR84 (0.42) GPR84PPARDFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529532-A1 LAYER STRUCTURE WITH SYMBOLS WHICH CAN BE ILLUMINATED AND USE THEREOF Covestro Deutschland AG (DE) 2019-08-28 EP disclosed
CN-105263717-B For proof and/or the data page of valuable certificate 联邦印刷厂有限公司 2018-05-15 CN disclosed
EP-1934284-A1 VERY BRIGHT LIGHT-DIFFUSING PLASTIC COMPOSITION, AND USE THEREOF IN FLAT SCREENS Bayer MaterialScience AG (DE) 2008-06-25 EP disclosed
WO-2007039131-A1 VERY BRIGHT LIGHT-DIFFUSING PLASTIC COMPOSITION, AND USE THEREOF IN FLAT SCREENS BAYER MATERIALSCIENCE AG (DE) 2007-04-12 WO disclosed