SCHEMBL27980321

SCHEMBL27980321

C=C(CC(CC)CCCC)C(=O)OCCCCC=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.35
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
RECQL P46063 1/20 0.33
EP300 Q09472 1/20 0.33
CA2 P00918 2/20 0.32
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.31
GRIK1 P39086 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL7636501 0.84 TSHR (0.38) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL5311239 0.82 TSHR (0.54) TSHRCYP3A4ATMTDP1HCAR2
SCHEMBL27497374 0.82 TSHR (0.46) TSHRCYP3A4ATMTDP1HCAR2
SCHEMBL27590715 0.81 TSHR (0.46) TSHRATMCYP2D6CYP2C19HCAR2
SCHEMBL1759450 0.81 TSHR (0.47) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL6563298 0.80 TSHR (0.53) TSHRHCAR2EP300FAAH
SCHEMBL5042501 0.80 TSHR (0.42) TSHRCYP3A4ATMTDP1HCAR2
SCHEMBL28527568 0.80 TSHR (0.44) TSHRATMTDP1CYP2D6CYP2C19
SCHEMBL28120881 0.80 TSHR (0.44) TSHRCYP3A4ATMTDP1RECQL
SCHEMBL27860387 0.80 TSHR (0.42) TSHRCYP3A4TDP1CYP2D6CYP2C19

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
CN-102190844-B Thermoplastic resin composition NIPPON A & L INC 2015-06-10 CN disclosed
CN-104080846-A Rubber-reinforced styrene resin composition for resin foam and resin foam NIPPON A & L INC 2014-10-01 CN disclosed