SCHEMBL6431735

SCHEMBL6431735

c1ccc2c(c1)C1COC2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPA1 O75762 2/20 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
SCHEMBL13116587 0.80 TSHR (0.43) TSHRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL37732 0.80 TSHR (0.57) TSHRCHRNB4CHRNA3
SCHEMBL13116606 0.78 TSHR (0.41) TSHRCHRNB4CHRNA3
SCHEMBL13116602 0.77 TSHR (0.40) TSHRCHRNB4CHRNA3
SCHEMBL11773916 0.76 TSHR (0.43) TSHRCHRNB4CHRNA3
SCHEMBL13116601 0.75 CHRNB4 (0.55) TSHRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13116600 0.75 TSHR (0.39) TSHRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13116628 0.73 CHRNB4 (0.52) TSHRCHRNB4CHRNA3CHRNB2CHRNA4
Ethylene Glycol SCHEMBL14121416 0.70 TSHR (0.46) TSHR
SCHEMBL8524358 0.65 TAAR1 (0.52) TSHR

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-20050040564-A1 Systems and methods for using norbornene based curable materials HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-02-24 US disclosed