SCHEMBL8668679

SCHEMBL8668679

O=C(O)C1CC(C(=O)O)C(c2ccccc2F)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.38
PMP22 Q01453 1/20 0.38
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 2/20 0.35
GAA P10253 2/20 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
Hydrochloric Acid SCHEMBL8672045 0.98 MEN1 (0.42) MEN1KMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL8669627 0.89 KMT2A (0.40) MEN1KMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL8666843 0.83 MEN1 (0.38) MEN1KMT2ACYP3A4CYP2C9KDM1A
SCHEMBL8665746 0.81 ALDH1A1 (0.40) KMT2ATSHRALDH1A1GAA
SCHEMBL8666356 0.80 LMNA (0.41) MEN1KMT2ACYP3A4CYP2C9LMNA
SCHEMBL8683694 0.79 KMT2A (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL2804427 0.79 CYP2D6 (0.45) MEN1KMT2ACYP2C9CYP2D6LMNA
SCHEMBL8666857 0.78 KMT2A (0.38) MEN1KMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL8871034 0.78 KMT2A (0.38) MEN1KMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL8672057 0.77 GRM5 (0.39) MEN1KMT2ACYP3A4CYP2C9LMNA

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
US-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 US disclosed