SCHEMBL7700826

SCHEMBL7700826

CC(C)(C)C1(C(=O)O)C2CCC(C2)C1(C(=O)O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA7 P36544 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNA1 P02708 3/20 0.32
CHRNG P07510 3/20 0.32
CHRNB1 P11230 3/20 0.32
CHRND Q07001 3/20 0.32
LMNA P02545 2/20 0.32
NFKB1 P19838 2/20 0.32
CYP2C19 P33261 2/20 0.32
THPO P40225 2/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
CHRNE Q04844 1/20 0.32
CHRNA2 Q15822 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL7698925 0.71 GRM2 (0.31)
SCHEMBL5369870 0.71
SCHEMBL15106771 0.63 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5428847 0.62 MAPK1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1701369 0.61 LMNA (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL206269 0.61 CYP2C19 (0.35) LMNANFKB1CYP2C19THPONPSR1
SCHEMBL31076270 0.61 SLC1A2 (0.32) LMNACYP2C19RAB9ABLMPMP22
SCHEMBL7804966 0.59 GRM2 (0.45) LMNACYP2C19PMP22
SCHEMBL21133752 0.57 CES2 (0.36) LMNACYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL15114685 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348296-B1 COPOLYMER CONSISTING OF 2,3-DI-TERT-BUTYL-5-NORBORNENE-2,3-DICARBOXYLATE, ANOTHER NORBORNENE MONOMER, AND MALEIC ANHYDRIDE HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-02-19 US disclosed