SCHEMBL7993891

SCHEMBL7993891

CCc1cc2c(OCC(=O)OC)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.54
MTNR1B P49286 5/20 0.54
SRD5A2 P31213 1/20 0.42
ITK Q08881 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
RHEB Q15382 1/20 0.40
FLT3 P36888 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4653784 0.84 HTR1A (0.54) MTNR1AMTNR1BSRD5A2LMNAMEN1
SCHEMBL25267 0.78 MTNR1A (0.62) MTNR1AMTNR1BMEN1KMT2ANPC1
SCHEMBL10377782 0.75 MTNR1A (0.42) MTNR1AMTNR1BSRD5A2ITKLMNA
SCHEMBL16686988 0.75 MTNR1A (0.49) MTNR1AMTNR1BKDM4E
SCHEMBL1137563 0.75 HTR1B (0.53) LMNAMEN1KMT2AKDM4EMAPT
SCHEMBL5768529 0.74 SRD5A2 (0.61) MTNR1AMTNR1BSRD5A2RHEBMAPT
SCHEMBL14154752 0.73 MTNR1A (0.48) MTNR1AMTNR1BLMNAMEN1KMT2A
SCHEMBL12435547 0.73 MTNR1A (0.48) MTNR1AMTNR1BLMNAMEN1KMT2A
Acetic Acid SCHEMBL11383873 0.73 MTNR1A (0.45) MTNR1AMTNR1BSRD5A2MEN1KMT2A
SCHEMBL24451623 0.72 MTNR1A (0.45) MTNR1AMTNR1BMEN1KMT2ANPC1

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
WO-2001044185-A1 CARBON MONOXIDE-BASED SYNTHESIS OF SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-06-21 WO disclosed