SCHEMBL8048486

SCHEMBL8048486

O=P(O)(CCCc1cccc2ccccc12)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
MCL1 Q07820 4/20 0.45
CETP P11597 1/20 0.45
MTNR1A P48039 2/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CYP1A2 P05177 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC16A3 O15427 1/20 0.41
CTNNB1 P35222 1/20 0.40

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
SCHEMBL7639813 0.96 ACP3 (0.48) ACP3TDP1MCL1CETPMTNR1A
SCHEMBL8520737 0.93 ACP3 (0.53) ACP3TDP1MCL1CETPMTNR1A
SCHEMBL7605396 0.82 ACP3 (0.63) ACP3TDP1FFAR1AKR1B1CYP1A2
SCHEMBL3245338 0.80 SRC (0.61) TDP1CETPSRCL3MBTL1
SCHEMBL7053859 0.78 ACP3 (0.43) ACP3TDP1MCL1MTNR1ACTNNB1
SCHEMBL5057873 0.75 FOLH1 (0.43) ACP3TDP1MCL1FFAR1AKR1B1
SCHEMBL5054433 0.75 ACP3 (0.43) ACP3TDP1MCL1MTNR1ASLC16A3
SCHEMBL28278348 0.74 ACP3 (0.44) ACP3TDP1MTNR1AFFAR1AKR1B1
SCHEMBL5059954 0.74 ACP3 (0.44) ACP3TDP1MCL1MTNR1AFFAR1
SCHEMBL27494073 0.74 TDP1 (0.46) ACP3TDP1MCL1MTNR1AFFAR1

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
EP-1005348-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 2000-06-07 EP disclosed
WO-1998013046-A1 NAALADASE COMPOSITIONS AND METHODS FOR TREATING GLUTAMATE ABNORMALITY AND EFFECTING NEURONAL ACTIVITY IN ANIMALS GUILFORD PHARMACEUTICALS INC. (US) 1998-04-02 WO disclosed