SCHEMBL9877484

SCHEMBL9877484

C1C2CC3CC1CC(C14CC5CC(C1)CC(C16CC7CC(CC(C7)C1)C6)(C5)C4)(C2)C3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.40
GRIN3B O60391 7/20 0.40
GRIN1 Q05586 7/20 0.40
GRIN2A Q12879 7/20 0.40
GRIN2B Q13224 7/20 0.40
GRIN2C Q14957 7/20 0.40
GRIN3A Q8TCU5 7/20 0.40
LMNA P02545 2/20 0.40
SLC22A2 O15244 2/20 0.40
SLC47A1 Q96FL8 2/20 0.40
SLC22A1 O15245 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
STAT6 P42226 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL23051579 0.93 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL963771 0.86 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13628692 0.84 SLC22A2 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Trimethylammonium SCHEMBL9058439 0.81 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4057608 0.81 PKM (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2709448 0.81 LMNA (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13628690 0.77 LMNA (0.31) LMNA
SCHEMBL4991539 0.75
SCHEMBL4437737 0.75 NPFFR1 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10415678 0.73 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-4990691-A Hydrolyzing tribromoadamantane in presence of pyridine to form triol IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-05 US disclosed
US-4963292-A HIGH VISCOSITY AT ELEVATED TEMPERATURES; LOW POUR POINT; HEAT AND OXIDATION RESISTANCE IDEMITSU KOSAN COMPANY, LIMITED (JP) 1990-10-16 US disclosed