SCHEMBL8508682

SCHEMBL8508682

OC1CCC(O)CC1.OCCCCCCCCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SHBG P04278 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.32
MIF P14174 1/20 0.31
TYRO3 Q06418 2/20 0.30
MERTK Q12866 2/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
GAS6 Q14393 1/20 0.30
GBA1 P04062 1/20 0.30

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
1,6-Hexanediol SCHEMBL27420700 1.00 TSHR (0.40) TSHRLMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL8910988 0.93 TSHR (0.39) TSHRLMNAALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL8910983 0.88 TSHR (0.35) TSHRLMNAALDH1A1HSD17B10MEN1
Ethylene Glycol SCHEMBL23716760 0.82 TSHR (0.47) TSHRSHBGEPHX2
Cyclohexanol SCHEMBL21925166 0.81 TSHR (0.59) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL4814734 0.81 SIGMAR1 (0.33) TSHRLMNASHBG
SCHEMBL29669639 0.77 CNR2 (0.34) TSHRLMNASHBG
1,4-Butanediol SCHEMBL3681996 0.76 SMN1; SMN2 (0.37) TSHRLMNAALDH1A1HSD17B10MEN1
1,6-Hexanediol SCHEMBL1156749 0.75 EPHX1 (0.39) TSHRLMNAALDH1A1HSD17B10MEN1
SCHEMBL21879690 0.73 TSHR (0.61) TSHRLMNAALDH1A1HSD17B10MEN1

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
CN-115210289-A Polyester resin and method for producing same 尤尼吉可株式会社 2022-10-18 CN disclosed
EP-0933407-A1 Flexographic security ink with near infrared fluorophores NCR INTERNATIONAL INC. (US) 1999-08-04 EP disclosed