SCHEMBL11648138

SCHEMBL11648138

O=C(O)CCC(=S)N(F)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ PKM P14618 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ POLB P06746 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
SCHEMBL28136856 0.80 TP53 (0.53) L3MBTL1TP53ALDH1A1PKMKDM4E
SCHEMBL20560642 0.79 ALDH1A1 (0.50) L3MBTL1TP53ALDH1A1MEN1KMT2A
SCHEMBL20560634 0.76 ALDH1A1 (0.54) TP53ALDH1A1HTTMEN1KMT2A
SCHEMBL2312487 0.72 MEN1 (0.48) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL28158074 0.72 ALDH1A1 (0.49) ALDH1A1PKMKDM4EHTTMEN1
SCHEMBL25695968 0.71 HTR7 (0.50) TP53ALDH1A1PKMKDM4EHTT
SCHEMBL27331113 0.71 TP53 (0.49) TP53ALDH1A1PKMKDM4EHTT
SCHEMBL11650607 0.70 L3MBTL1 (0.67) L3MBTL1ALDH1A1HTTMEN1KMT2A
SCHEMBL12100862 0.70 ALDH1A1 (0.69) L3MBTL1TP53ALDH1A1PKMKDM4E
SCHEMBL29596265 0.70 ALDH1A1 (0.69) L3MBTL1TP53ALDH1A1PKMKDM4E

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-4110444-A MODIFY THE STRENGTH OF BIOLOGICAL MEMBRANES THE CALIFORNIA POLYTECHNIC STATE UNIVERSITY FOUNDATION (US) 1978-08-29 — — US disclosed
Send feedback