SCHEMBL7363348

SCHEMBL7363348

CCCC(F)OC(=O)C=CCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
EPHX2 P34913 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PTGIR P43119 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSK P43235 1/20 0.40
GPR52 Q9Y2T5 8/20 0.40
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL7361452 0.92 GPR52 (0.48) GPR52
SCHEMBL10037558 0.77 GPR52 (0.50) MAPTTRPV1LMNASMN1; SMN2GPR52
SCHEMBL6819904 0.73 TRPV1 (0.46) MAPTTRPV1SMN1; SMN2GPR52SIGMAR1
SCHEMBL6819901 0.73 TRPV1 (0.46) MAPTTRPV1SMN1; SMN2GPR52SIGMAR1
SCHEMBL7366413 0.73 SIGMAR1 (0.40) MAPTEPHX2CYP2D6CYP2C9CYP2C19
SCHEMBL7185562 0.72 GRIK1 (0.50) EPHX2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL7185565 0.72 GRIK1 (0.50) EPHX2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL5847973 0.71 GPR52 (0.56) MAPTTRPV1SMN1; SMN2GPR52
SCHEMBL5847965 0.71 GPR52 (0.56) MAPTTRPV1SMN1; SMN2GPR52
SCHEMBL6963017 0.70 GPR52 (0.54) MAPTTRPV1SMN1; SMN2GPR52

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
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed