SCHEMBL8550654

SCHEMBL8550654

O=C(CCl)C1CC2CCCC(C2)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
MAPT P10636 1/20 0.32
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
CHRNA7 P36544 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
SCHEMBL4598673 0.77 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL3990466 0.74
SCHEMBL1132078 0.73
SCHEMBL9043577 0.72 CES2 (0.50) ALDH1A1RAB9A
SCHEMBL9959799 0.72 EPHX2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL8418414 0.72 TSHR (0.32)
SCHEMBL15467085 0.72 EPHX2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL853291 0.72 EPHX2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL854725 0.72 EPHX2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL4437402 0.72 CES2 (0.50) ALDH1A1RAB9A

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
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed