SCHEMBL9856730

SCHEMBL9856730

CCCOc1ccccc1C(Cc1cc(C)cc(CC)c1)CC(NC)OP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 5/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 2/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
NLRP1 Q9C000 1/20 0.30

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
Phosphoric Acid SCHEMBL9856725 0.82 MEN1 (0.36) MEN1KMT2AMAPTTSHRLMNA
SCHEMBL11072867 0.59 TNF (0.47) MEN1KMT2AGAAMAPTLMNA
SCHEMBL11078352 0.59 CYP1A2 (0.44) MEN1KMT2AGAAMAPTLMNA
SCHEMBL9856989 0.59 SLC6A2 (0.46) MEN1KMT2AGAAMAPTLMNA
SCHEMBL23095838 0.59 PPARG (0.46) GAAMAPTLMNANPSR1PPARG
SCHEMBL11076821 0.58 ALOX15 (0.42) MEN1KMT2AGAAMAPTLMNA
SCHEMBL27918600 0.58 LMNA (0.44) MEN1KMT2AGAAMAPTLMNA
SCHEMBL10511897 0.58 L3MBTL1 (0.44) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2903384 0.57 L3MBTL1 (0.55) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL18486482 0.57 POLB (0.59) MEN1KMT2AGAAMAPTLMNA

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-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed