SCHEMBL11329804

SCHEMBL11329804

CCOP(=O)(Oc1ccc(Cl)cc1Cl)OP(=O)(OCC)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.63
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NR1I2 O75469 1/20 0.50
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11329801 0.95 TDP1 (0.61) TDP1KMT2AMEN1NR1I2TSHR
SCHEMBL28995 0.94 TDP1 (0.67) TDP1KMT2AMEN1NR1I2TSHR
Benzene SCHEMBL28227319 0.91 TDP1 (0.63) TDP1KMT2AMEN1NR1I2TSHR
SCHEMBL9494486 0.85 TDP1 (0.49) TDP1KMT2AMEN1NR1I2TSHR
SCHEMBL10935492 0.83 TDP1 (0.65) TDP1KMT2AMEN1NR1I2TSHR
SCHEMBL4372626 0.81 TDP1 (0.51) TDP1KMT2AMEN1NR1I2TSHR
SCHEMBL29892533 0.81 TDP1 (0.51) TDP1KMT2AMEN1NR1I2TSHR
SCHEMBL17355868 0.79 TDP1 (0.49) TDP1KMT2AMEN1NR1I2TSHR
SCHEMBL3228871 0.79 GAA (0.56) TDP1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL3230831 0.79 GAA (0.56) TDP1KMT2AMEN1TSHRSMN1; SMN2

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-4303766-A SULFONATION OF ELASTOMERS, FRIEDEL-CRAFTS OR COORDINATION CATALYST, ACYL SULFATE, QUENCHING, NEUTRALIZATION EXXON RESEARCH & ENGINEERING CO. (US) 1981-12-01 US disclosed
US-4105647-A SOLUTION POLYMERIZATION USING A FRIEDEL-CRAFTS OF ZIEGLER-TYPE CATALYST EXXON RESEARCH & ENGINEERING CO. (US) 1978-08-08 US disclosed