SCHEMBL11528282

SCHEMBL11528282

C=C(C)C(=O)OCC(C)C(C)CCCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
THRB P10828 1/20 0.41
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.37
CYP3A4 P08684 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.34
FAAH O00519 1/20 0.34
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL11527466 0.95 TSHR (0.55) TSHRTHRBCA1ALDH1A1MAPT
SCHEMBL10150618 0.86 TSHR (0.66) TSHRTHRBCA2CA1ATM
SCHEMBL8966000 0.85 TSHR (0.75) TSHRTHRBTDP1ALDH1A1
SCHEMBL1897951 0.84 TSHR (0.58) TSHRTHRBCA2CA1CYP3A4
SCHEMBL8735168 0.82 TSHR (0.55) TSHRTHRBCA2CA1CYP3A4
SCHEMBL1132615 0.81 TSHR (0.53) TSHRTHRBCA2CA1CYP3A4
SCHEMBL6670935 0.80 TSHR (0.53) TSHRTHRBCA2CA1CYP3A4
SCHEMBL6056619 0.79 TSHR (0.52) TSHRTHRBCA2CA1CYP3A4
SCHEMBL16772 0.79 TSHR (0.61) TSHRCA2CYP3A4ATMTDP1
SCHEMBL6457085 0.79 TSHR (0.56) TSHRTHRBCA1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150945-A AND AN AMINO ACID CURING AGENT SANYO TRADING CO., LTD. (JP) 1979-04-24 US disclosed
US-4069214-A ACRYLIC ESTER POLYMER, AMINO ACID CURING AGENT, COATING METALS, BONDING PLYWOOD, FINISHING TEXTILES SANYO TRADING CO., LTD. (JA) 1978-01-17 US disclosed