SCHEMBL8667685

SCHEMBL8667685

CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)O)CC(C(=O)Nc2ccccc2)C1c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ NAMPT P43490 3/20 0.37
▸ TLR2 O60603 4/20 0.36
▸ TLR1 Q15399 4/20 0.36
▸ NPFFR1 Q9GZQ6 1/20 0.35
▸ NPFFR2 Q9Y5X5 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33

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
SCHEMBL8670628 0.91 SIGMAR1 (0.41) SIGMAR1TLR2TLR1NPFFR1NPFFR2
SCHEMBL8671320 0.89 SIGMAR1 (0.41) HDAC8SIGMAR1NAMPTTLR2TLR1
SCHEMBL8671876 0.88 SIGMAR1 (0.37) SIGMAR1TLR2TLR1
SCHEMBL8668252 0.85 SIGMAR1 (0.39) SIGMAR1TLR2TLR1MEN1KMT2A
SCHEMBL8666222 0.83 SIGMAR1 (0.40) SIGMAR1TLR2TLR1MEN1KMT2A
SCHEMBL8670608 0.81 SIGMAR1 (0.38) HDAC8SIGMAR1NPFFR1NPFFR2KMT2A
SCHEMBL8668739 0.79 ACE (0.47) SIGMAR1TLR2TLR1NPFFR1NPFFR2
SCHEMBL8871032 0.76 ACE (0.46) SIGMAR1
SCHEMBL8668227 0.75 SIGMAR1 (0.42) SIGMAR1TLR2TLR1KMT2ARAB9A
SCHEMBL8666972 0.75 ACE (0.41) MEN1KMT2AMAPTSMN1; 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 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
Send feedback