SCHEMBL4915775

SCHEMBL4915775

C=C(C(=O)OCCN)C(CCC)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
THRB P10828 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 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
SCHEMBL4920936 0.87 THRB (0.33) TSHRTHRB
SCHEMBL4596321 0.81 HDAC1 (0.38) TSHRTHRBCA1CA2ALDH1A1
SCHEMBL4912621 0.79 CA2 (0.36) TSHRTHRBCA1CA2CA7
SCHEMBL4917881 0.79 THRB (0.33) TSHRTHRBCA1CA2CA7
SCHEMBL3872586 0.78 TSHR (0.34) TSHRTHRB
SCHEMBL41031 0.77 TSHR (0.36) TSHRTHRB
SCHEMBL4919357 0.76 CA2 (0.41) TSHRTHRBCA1CA2ALDH1A1
SCHEMBL7757309 0.76 THRB (0.32) TSHRTHRB
SCHEMBL6673851 0.76 THRB (0.35) TSHRTHRBALDH1A1MAPTCNR1
Ammonia Solution, Strong SCHEMBL3663515 0.75 TSHR (0.35) TSHRTHRB

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-20080057434-A1 METHOD OF PRODUCING NON-MAGNETIC ONE-COMPONENT TONER FOR DEVELOPING ELECTROSTATIC IMAGE ZEON CORPORATION (JP) 2008-03-06 US disclosed