SCHEMBL10418756

SCHEMBL10418756

COC(=O)/C(=C/C=C(/C(=O)O)N(C)C)Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10418758 1.00 MAPT (0.32) MAPTL3MBTL1LMNATSHRSMN1; SMN2
SCHEMBL10419253 0.86 MEN1 (0.40) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL10419252 0.86 MEN1 (0.40) MAPTL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL10419148 0.80 MEN1 (0.37) MAPTL3MBTL1LMNASMN1; SMN2PKM
SCHEMBL10419146 0.80 MEN1 (0.37) MAPTL3MBTL1LMNASMN1; SMN2PKM
SCHEMBL10418165 0.78 MEN1 (0.42) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL10418164 0.78 MEN1 (0.42) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL27453297 0.78 L3MBTL1 (0.49) MAPTL3MBTL1TSHRSMN1; SMN2ALDH1A1
SCHEMBL10419683 0.77 CYP1A2 (0.32) MAPTL3MBTL1
SCHEMBL10418292 0.77 TSHR (0.34) L3MBTL1LMNATSHRSMN1; SMN2ALDH1A1

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
US-4971979-A Antiinflammatory agents RHONE-POULENC SANTE (FR) 1990-11-20 US disclosed
US-4886835-A ANTIINFLAMMATORY AGENTS RHONE-POULENC SANTE (FR) 1989-12-12 US disclosed