SCHEMBL7701536

SCHEMBL7701536

[CH2]CCOC(CCOCCCC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
RARB P10826 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
SCHEMBL7701534 0.94 TSHR (0.35) TSHRCYP3A4
SCHEMBL10937244 0.90 TSHR (0.46) TSHRCYP3A4ALDH1A1MEN1THRB
SCHEMBL27579471 0.81 ADRB2 (0.35) TSHRCYP3A4ALDH1A1
SCHEMBL3624110 0.80
SCHEMBL12337817 0.79 TSHR (0.34) TSHRCYP3A4ALDH1A1
SCHEMBL16909991 0.78 TSHR (0.40) TSHRCYP3A4MEN1THRBHTT
SCHEMBL28638575 0.78 HTT (0.43) TSHRCYP3A4MEN1THRBHTT
SCHEMBL20009 0.76
SCHEMBL11685248 0.76 SMPD1 (0.37) TSHRALDH1A1
SCHEMBL28631867 0.76 HTT (0.42) ALDH1A1MEN1THRBHTTKMT2A

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-6348517-B1 HALOGEN CONTAINING POLYMERS WITH STABILIZERS FOR STERILE ARTICLES OXY SERVICES, INC. 2002-02-19 US disclosed