SCHEMBL9640428

SCHEMBL9640428

C=C(CC=C(CCCN(C)C)C(=O)O)C(=O)OCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
DNM1 Q05193 4/20 0.42
LSS P48449 1/20 0.40
NAAA Q02083 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
THRB P10828 5/20 0.36
THRA P10827 4/20 0.36
APEX1 P27695 2/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 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
SCHEMBL11260774 1.00 TSHR (0.44) TSHRDNM1LSSNAAAHCAR2
SCHEMBL9871522 0.95 DNM1 (0.38) TSHRDNM1LSSHCAR2THRB
SCHEMBL11137264 0.91 DNM1 (0.52) TSHRDNM1LSSTHRBTHRA
SCHEMBL3185601 0.87 DNM1 (0.34) TSHRDNM1LSSNAAAHCAR2
SCHEMBL16178720 0.86 TSHR (0.41) TSHRNAAAHCAR2APEX1NPSR1
SCHEMBL7785353 0.83 TSHR (0.56) TSHRDNM1LSSNAAATHRB
SCHEMBL8349322 0.83 TSHR (0.56) TSHRDNM1LSSNAAATHRB
SCHEMBL15772796 0.82 DNM1 (0.42) TSHRDNM1APEX1
Bromide SCHEMBL7779909 0.82 TSHR (0.54) TSHRDNM1LSSNAAATHRB
SCHEMBL1403008 0.80 KDM4A (0.33) APEX1

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
EP-0382493-B1 BRANCHED POLYMERS AS FUEL OIL ADDITIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-09 EP disclosed