SCHEMBL11207769

SCHEMBL11207769

Cc1cc(C)c(C2=C(O)CC(C(C)C)CC2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
NR2F2 P24468 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
SCHEMBL17528951 0.86 NR2F2 (0.33) TSHRNR2F2
SCHEMBL15763672 0.82 TSHR (0.31) TSHR
SCHEMBL10207875 0.82 TSHR (0.31) TSHR
SCHEMBL15763580 0.79 SIRT2 (0.33)
SCHEMBL468928 0.78 KCNQ3 (0.33) TSHRNR2F2
SCHEMBL15944254 0.78 KMT2A (0.36) POLB
SCHEMBL15944321 0.77 ALDH1A1 (0.39) TSHR
SCHEMBL17122134 0.76
SCHEMBL15944320 0.76
SCHEMBL468926 0.76 TSHR (0.31) TSHRNR2F2

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-4351666-A PRETREATMENT BEFORE HARVESTING UNION CARBIDE CORPORATION (US) 1982-09-28 US disclosed