SCHEMBL7209760

SCHEMBL7209760

CCOP(=O)(OCC)c1ccc(C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 3/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL9158892 0.84 HTR2A (0.43) MAPTLMNAHPGDALDH1A1HTR2A
SCHEMBL25734359 0.78 CCNT1 (0.44) HTR2AHTR2BNPSR1POLBTDP1
SCHEMBL7214796 0.78 SMN1; SMN2 (0.46) MAPTLMNAHPGDALDH1A1HTR2A
SCHEMBL6829825 0.77 TDP1 (0.49) HTR2AHTR2BNPSR1POLBTDP1
SCHEMBL1654630 0.76 HDAC1 (0.41) HPGDALDH1A1HTR2AHTR2BNPSR1
SCHEMBL914851 0.76 POLB (0.47) MAPTALDH1A1HTR2AHTR2BPOLB
SCHEMBL15565518 0.75 HTR2A (0.42) HPGDALDH1A1HTR2AHTR2BNPSR1
SCHEMBL31688379 0.74 NPSR1 (0.47) LMNAHTR2AHTR2BNPSR1POLB
SCHEMBL916035 0.74 NPSR1 (0.47) LMNAHTR2AHTR2BNPSR1POLB
SCHEMBL107781 0.74 HPGD (0.48) MAPTLMNAHPGDALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613717-B1 Phosphoric benzoyl derivatives and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-09-02 US disclosed
EP-1173449-A1 PHOSPHORIC BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-01-23 EP disclosed
WO-2000064912-A1 PHOSPHORIC BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-02 WO disclosed